SCHEMBL4907259

SCHEMBL4907259

c1ccc2cc(-c3ccnc(NCCc4c[nH]c5ccccc45)n3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.66
CCNA2 P20248 2/20 0.66
CDK2 P24941 2/20 0.66
CDK9 P50750 2/20 0.66
EIF2AK2 P19525 3/20 0.65
MKNK1 Q9BUB5 3/20 0.55
MKNK2 Q9HBH9 3/20 0.55
MC5R P33032 1/20 0.53
MC3R P41968 1/20 0.53
MC1R Q01726 1/20 0.53
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
SLC2A1 P11166 1/20 0.50
RAD52 P43351 1/20 0.50
HTR1A P08908 6/20 0.49
DRD2 P14416 4/20 0.49
HTR2A P28223 4/20 0.49
HTR7 P34969 4/20 0.49
HTR6 P50406 4/20 0.49
HDAC3 O15379 1/20 0.48

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
SCHEMBL4900043 0.87 EIF2AK2 (0.75) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL4902818 0.84 CCNT1 (0.71) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL20557614 0.83 EIF2AK2 (0.61) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL30579418 0.80 CCNT1 (0.67) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL3651615 0.79 CDK2 (0.56) CCNT1CCNA2CDK2CDK9MKNK1
SCHEMBL21903135 0.79 EIF2AK2 (1.00) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL30586646 0.79 EIF2AK2 (1.00) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL4895715 0.79 NEK1 (0.47) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL4906716 0.79 NEK1 (0.47) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL13039353 0.78 CCNT1 (0.68) CCNT1CCNA2CDK2CDK9EIF2AK2

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 1 patent. 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

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 CCNT1 1479/4885CCNA2 490/4885CDK2 122/4885

“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.