SCHEMBL13337033

SCHEMBL13337033

CC(C)N[C@H]1CC[C@H](N)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.39
MDM2 Q00987 1/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KDM1A O60341 2/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
MAOB P27338 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17776579 1.00 SMYD3 (0.39) SMYD3MDM2GAAL3MBTL1IRAK4
SCHEMBL31963 1.00 SMYD3 (0.39) SMYD3MDM2GAAL3MBTL1IRAK4
SCHEMBL23333333 0.87 SMYD3 (0.37) SMYD3MDM2GAAL3MBTL1
SCHEMBL2600363 0.86 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4DRD2
SCHEMBL16171239 0.86 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4DRD2
SCHEMBL681668 0.86
SCHEMBL18458286 0.86 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4DRD2
SCHEMBL17776569 0.85 MDM2 (0.41) SMYD3MDM2CCNT1CDK4CCND1
SCHEMBL2621567 0.85 MDM2 (0.41) SMYD3MDM2CCNT1CDK4CCND1
SCHEMBL17776568 0.85 MDM2 (0.41) SMYD3MDM2CCNT1CDK4CCND1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-20210085714-A1 EXPANSION OF NK AND DC CELLS IN VIVO MEDIATING IMMUNE RESPONSE UNIVERSITE DE MONTREAL (CA) 2021-03-25 US disclosed
US-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 US disclosed
EP-3221306-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
US-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-17 US disclosed
US-10336747-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells Université de Montréal 2019-07-02 US disclosed
US-10273503-B2 Compounds and methods for enhancing viral gene transfer to human hematopoietic cells UNIVERSITE DE MONTREAL (CA) 2019-04-30 US disclosed
WO-2019005977-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-03 WO disclosed
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-07-24 US disclosed
US-20180002327-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-01-04 US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-20170037047-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2017-02-09 US disclosed
US-9409906-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells UNIVERSITE DE MONTREAL (CA) 2016-08-09 US disclosed
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 US disclosed
US-9296744-B2 2016-03-29 US disclosed
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C WINDTREE THERAPEUTICS, INC. 2015-10-01 US disclosed
US-20150011543-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS UNIVERSITE DE MONTREAL (CA) 2015-01-08 US disclosed
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES VAN EIS MAURICE 2010-05-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10273503-B2 Compounds and methods for enhancing viral gene transfer to human hematopoietic cells HCLS1, INMT, IDO1 SMYD3 1804/4885MDM2 2795/4885GAA 1897/4885
US-20210085714-A1 EXPANSION OF NK AND DC CELLS IN VIVO MEDIATING IMMUNE RESPONSE PBK, CD74, IL17A SMYD3 2709/4885MDM2 3613/4885GAA 4144/4885
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 SMYD3 3381/4885MDM2 192/4885GAA 1757/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP SMYD3 3711/4885MDM2 2375/4885GAA 1088/4885
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMYD3 3381/4885MDM2 192/4885GAA 1757/4885
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES PKN1, PKN2, CDK9 SMYD3 3018/4885MDM2 2434/4885GAA 2238/4885
US-20170037047-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS HPGDS, HCLS1, THPO SMYD3 2716/4885MDM2 4332/4885GAA 373/4885
US-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 SMYD3 4122/4885MDM2 4524/4885GAA 763/4885
US-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C PRKCQ, PRKCA, PRKCZ SMYD3 1432/4885MDM2 2447/4885GAA 3147/4885
US-20180002327-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMYD3 3381/4885MDM2 192/4885GAA 1757/4885
US-10336747-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells IDO1, IDO2, INMT SMYD3 2252/4885MDM2 873/4885GAA 3383/4885
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C PRKCQ, PRKCA, PRKCZ SMYD3 1432/4885MDM2 2447/4885GAA 3147/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK SMYD3 2479/4885MDM2 1572/4885GAA 2940/4885
US-20150011543-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS IDO1, IDO2, INMT SMYD3 2252/4885MDM2 873/4885GAA 3383/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.