SCHEMBL3086583

SCHEMBL3086583

Cc1ccn2nc(C)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 7/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ENPP3 O14638 1/20 0.35
ALPL P05186 1/20 0.35
XIAP P98170 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GAA P10253 1/20 0.34
CA2 P00918 1/20 0.33
UHRF1 Q96T88 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL15690214 0.79 ENPP3 (0.38) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL18632452 0.79 AHR (0.39) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31352100 0.79 MAPT (0.33) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4914023 0.77 NPC1 (0.44) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10038828 0.76 TP53 (0.37) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3076452 0.75 KDM5A (0.41) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31001790 0.75 MAPT (0.42) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL10068843 0.75 GAA (0.33) KDM4EALDH1A1RAB9ALMNAMAPT
SCHEMBL31289239 0.75 CYP2A6 (0.35) KDM4EALDH1A1RAB9ALMNAMAPT
SCHEMBL25370113 0.75 DRD2 (0.38) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039858-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
US-20220024915-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2022-01-27 US disclosed
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 US disclosed
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors UCB Biopharma SRL (BE) 2021-10-05 US disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 WO disclosed
US-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS CELLTECH R&D LIMITED (GB) 2020-09-10 US disclosed
EP-3380464-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SPRL (BE) 2018-10-03 EP disclosed
EP-3009424-B1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-12-20 EP disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 US disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
EP-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP disclosed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 WO 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 (10 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-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS PEPD, ADAM17, ANPEP KDM4E 2618/4885ALDH1A1 3365/4885RAB9A 3685/4885
US-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 KDM4E 3263/4885ALDH1A1 3125/4885RAB9A 1476/4885
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY TP53, PNPO, DPYD KDM4E 2333/4885ALDH1A1 588/4885RAB9A 1073/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 KDM4E 104/4885ALDH1A1 865/4885RAB9A 1335/4885
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors PEPD, ADAM17, ANPEP KDM4E 2618/4885ALDH1A1 3365/4885RAB9A 3685/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB KDM4E 1344/4885ALDH1A1 583/4885RAB9A 3890/4885
US-20220024915-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 KDM4E 3383/4885ALDH1A1 869/4885RAB9A 829/4885
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 KDM4E 2176/4885ALDH1A1 1752/4885RAB9A 1995/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KDM4E 4113/4885ALDH1A1 3492/4885RAB9A 1482/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 KDM4E 1862/4885ALDH1A1 172/4885RAB9A 3725/4885

“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.