SCHEMBL4904597

SCHEMBL4904597

OC[C@H](Cc1c[nH]c2ccccc12)Nc1nccc(-c2ccncc2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 4/20 0.49
AKT1 P31749 7/20 0.48
NEK1 Q96PY6 2/20 0.47
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
FLT3 P36888 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
IMPDH2 P12268 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ECE1 P42892 2/20 0.41

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
SCHEMBL4906716 0.88 NEK1 (0.47) EIF2AK2AKT1NEK1CCNT1CCNA2
SCHEMBL4895715 0.88 NEK1 (0.47) EIF2AK2AKT1NEK1CCNT1CCNA2
SCHEMBL4909073 0.85 ECE1 (0.46) EIF2AK2AKT1NEK1CCNT1CCNA2
SCHEMBL4900043 0.78 EIF2AK2 (0.75) EIF2AK2CCNT1CCNA2CDK2CDK9
SCHEMBL12845603 0.76 AKT1 (0.52) AKT1NEK1CDK2CDK9MKNK2
SCHEMBL3109179 0.73 ROCK2 (0.64) AKT1CDK2MAPK1ECE1
SCHEMBL3104497 0.73 ROCK2 (0.64) AKT1CDK2MAPK1ECE1
SCHEMBL14159172 0.71 MAPT (0.56) HSD17B10ECE1
SCHEMBL13594308 0.70 HTR2A (0.56) ECE1
SCHEMBL16203421 0.70 HTR2A (0.56) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US claimed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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 (1 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 EIF2AK2 276/4885AKT1 194/4885NEK1 640/4885

“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.