SCHEMBL5412809

SCHEMBL5412809

CC#CCOc1cc(-c2ccccc2)nc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
TP53 P04637 5/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LTB4R Q15722 2/20 0.39
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL5417716 0.84 MAOB (0.62) NPC1RAB9AALDH1A1MAPK1MAOA
SCHEMBL5410560 0.79 NPC1 (0.54) NPC1RAB9AALDH1A1MAPK1MAOB
SCHEMBL13019371 0.75 ALDH1A1 (0.67) NPC1RAB9AALDH1A1MAPK1TP53
SCHEMBL20204755 0.74 NPC1 (0.47) NPC1RAB9AALDH1A1MAPK1TP53
SCHEMBL11978702 0.72 MAPK1 (0.70) NPC1RAB9AALDH1A1MAPK1TP53
SCHEMBL10039374 0.72 KMT2A (0.60) RAB9AALDH1A1TP53MAPTLMNA
Hydrochloric Acid SCHEMBL9013838 0.71 TP53 (0.54) NPC1RAB9AALDH1A1MAPK1TP53
SCHEMBL16353106 0.69 KMT2A (0.60) RAB9AALDH1A1TP53MAPTLMNA
SCHEMBL17286932 0.69 KMT2A (0.60) RAB9AALDH1A1TP53MAPTLMNA
SCHEMBL14970094 0.67 TSHR (0.56) NPC1RAB9AALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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 (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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS NPC1 3228/4885RAB9A 2945/4885ALDH1A1 783/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD NPC1 2108/4885RAB9A 1090/4885ALDH1A1 654/4885

“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.