SCHEMBL2759552

SCHEMBL2759552

CCc1ccc(N2CCN(C)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.49
HTR3A P46098 3/20 0.49
HRH3 Q9Y5N1 4/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR7 Q9NYK1 2/20 0.43

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
SCHEMBL8281445 0.87 HRH4 (0.46) HRH4HTR3ARAB9AL3MBTL1HTR1A
SCHEMBL9908392 0.86 HRH3 (0.53) HRH3CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL12217555 0.86 HRH3 (0.49) HRH3CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL10263996 0.85 FGFR3 (0.45) HRH3KCNH2
SCHEMBL12675278 0.85 HTR3A (0.47) HRH4HTR3AHRH3CYP1A2RAB9A
SCHEMBL19003513 0.85 HTR3A (0.47) HRH4HTR3AHRH3CYP1A2RAB9A
SCHEMBL11988947 0.85 SMO (0.52) HRH4HTR3AHRH3RAB9AL3MBTL1
SCHEMBL5122324 0.85 HTR3A (0.47) HRH4HTR3AHRH3CYP1A2RAB9A
SCHEMBL8429477 0.84 CYP1A2 (0.54) HRH3CYP1A2CYP2D6KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5009806 0.83 HTR3A (0.46) HRH4HTR3AHRH3RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY, INC. 2022-10-06 US disclosed
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-12-02 US disclosed
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 EP disclosed
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
EP-2958910-B1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LTD (GB) 2016-08-03 EP disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 US disclosed
US-7709482-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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 (11 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HRH4 3274/4885HTR3A 4473/4885HRH3 1972/4885
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 HRH4 1487/4885HTR3A 1138/4885HRH3 1145/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HRH4 120/4885HTR3A 4477/4885HRH3 303/4885
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D HRH4 63/4885HTR3A 610/4885HRH3 152/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 HRH4 1487/4885HTR3A 1138/4885HRH3 1145/4885
US-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF ACVR1, ALK, ACVRL1 HRH4 1515/4885HTR3A 2466/4885HRH3 2119/4885
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 HRH4 784/4885HTR3A 207/4885HRH3 512/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 HRH4 454/4885HTR3A 705/4885HRH3 529/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 HRH4 1912/4885HTR3A 4263/4885HRH3 1377/4885
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT HRH4 681/4885HTR3A 3786/4885HRH3 1033/4885
US-11746103-B2 ALK-5 inhibitors and uses thereof ACVR1, ALK, ACVRL1 HRH4 1515/4885HTR3A 2466/4885HRH3 2119/4885

“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.