SCHEMBL370948

SCHEMBL370948

c1cnn(-c2cn[nH]c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
LMNA P02545 4/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
KMT2A Q03164 1/20 0.38
TDO2 P48775 1/20 0.37
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
NPC1 O15118 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL20534083 0.79 AKT2 (0.50) NOTUMKDM4EALDH1A1MAPK1ERCC1
SCHEMBL30877154 0.76 SMN1; SMN2 (0.38) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL4729298 0.72 NOTUM (0.46) NOTUMKCNH2BRS3
SCHEMBL4341894 0.71 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1LMNA
SCHEMBL18392229 0.70 POLB (0.38) KDM4EMAPK1LMNAGAAMAPT
SCHEMBL24921471 0.69 NOTUM (0.43) NOTUMKDM4EALDH1A1MAPK1LMNA
SCHEMBL18450698 0.68 KDM4E (0.52) NOTUMKDM4EALDH1A1MAPK1LMNA
SCHEMBL28065853 0.68 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPK1ERCC1
SCHEMBL361246 0.68 MAPK1 (0.39) KDM4EALDH1A1MAPK1ERCC1ERCC4
SCHEMBL361247 0.68 AKT2 (0.41) MAPK1LMNAAKT1AKT2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593226-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS Abbvie Inc. (US) 2013-05-22 EP claimed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO claimed
US-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2024-09-12 US disclosed
CN-117964628-A Macrocyclic compounds as CDK9 inhibitors and application thereof 科辉智药生物科技(深圳)有限公司 2024-05-03 CN disclosed
WO-2024088189-A1 MACROCYCLIC COMPOUND AS CDK9 INHIBITOR AND USE THEREOF 科辉智药生物科技(无锡)有限公司 2024-05-02 WO disclosed
WO-2024001839-A1 HETEROAROMATIC RING COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-01-04 WO disclosed
EP-2593226-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS Abbvie Inc. (US) 2013-05-22 EP disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed
US-20060199816-A1 Aryl sulfonyl piperidines GILLESPIE PAUL 2006-09-07 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 (2 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-20060199816-A1 Aryl sulfonyl piperidines GPR119, SLC5A2, GLS2 NOTUM 1072/4885KDM4E 2675/4885ALDH1A1 88/4885
US-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS EGFR, ERBB2, ERBB4 NOTUM 2737/4885KDM4E 3333/4885ALDH1A1 2197/4885

“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.