SCHEMBL17635121

SCHEMBL17635121

CNc1ncc2c(n1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2C P28335 12/20 0.45
CDK2 P24941 2/20 0.42
CDK4 P11802 1/20 0.42
CDK6 Q00534 1/20 0.42
HTR2B P41595 8/20 0.40
HTR6 P50406 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR3A P46098 1/20 0.39
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CYP3A4 P08684 1/20 0.37
CCNA2 P20248 1/20 0.37
IKBKE Q14164 1/20 0.37
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL31390094 1.00 POLB (0.48) POLBSMN1; SMN2HTR2CCDK2CDK4
SCHEMBL27060755 0.87 HTR2C (0.51) POLBSMN1; SMN2HTR2CCDK2CDK4
SCHEMBL8195609 0.84 HTR2C (0.34) POLBSMN1; SMN2HTR2CCDK2CDK4
SCHEMBL21657103 0.83 HTR2C (0.45) POLBSMN1; SMN2HTR2CCDK2CDK4
SCHEMBL20792776 0.80 POLB (0.43) POLBSMN1; SMN2HTR2CCDK2CDK4
SCHEMBL15880652 0.80 POLB (0.45) POLBSMN1; SMN2HTR2CCDK2CDK4
SCHEMBL22999621 0.78 CDK5 (0.51) POLBSMN1; SMN2CDK2CDK4CDK6
SCHEMBL9959904 0.78 CDK2 (0.67) SMN1; SMN2HTR2CCDK2CDK4CDK6
SCHEMBL4135011 0.77 POLB (0.51) POLBSMN1; SMN2HTR2CCDK2CDK4
SCHEMBL2183634 0.77 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340530-A1 GCN2 INHIBITOR (as amended) IP2IPO INNOVATIONS LTD (GB) 2025-11-06 US disclosed
WO-2023218195-A1 GCN2 INHIBITORR IP2IPO INNOVATIONS LIMITED (GB) 2023-11-16 WO disclosed
US-20160102088-A1 PIPERIDYLPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASE INHIBITORS AND OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 ALLERGAN, INC. 2016-04-14 US disclosed
US-9296747-B1 Piperidylpyrimidine derivatives as modulators of protein kinase inhibitors and of vascular endothelial growth factor receptor 2 ALLERGAN, INC. (US) 2016-03-29 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-20250340530-A1 GCN2 INHIBITOR (as amended) EIF2AK4, GCN1, GCGR POLB 2065/4885SMN1; SMN2 2503/4885HTR2C 3163/4885
US-20160102088-A1 PIPERIDYLPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASE INHIBITORS AND OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 KDR, PTGFR, TEK POLB 3010/4885SMN1; SMN2 1769/4885HTR2C 2179/4885

“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.