SCHEMBL4520099

SCHEMBL4520099

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.40
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSP90B1 P14625 1/20 0.39
TSHR P16473 4/20 0.39
POLB P06746 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
YTHDC1 Q96MU7 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37

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
SCHEMBL4510103 0.94 KMT2A (0.44) F2RL3TP53ALOX15HSP90B1TSHR
SCHEMBL4521884 0.92 MAPK1 (0.45) TP53POLBHTTSMN1; SMN2CYP1A2
SCHEMBL4772515 0.91 KMT2A (0.38) F2RL3TP53ALOX15HSP90B1TSHR
SCHEMBL4520494 0.89 MAOB (0.38) F2RL3TSHRPOLBHTTMAPK1
SCHEMBL4520627 0.89 DRD1 (0.41) TP53ALOX15TSHRHTTSMN1; SMN2
SCHEMBL4519094 0.87 MAPK1 (0.47) TP53HTTSMN1; SMN2MAPK1KMT2A
SCHEMBL4521828 0.85 MAT2A (0.40) F2RL3TSHRPOLBSMN1; SMN2MAPK1
SCHEMBL4523638 0.85 GSR (0.41) SMN1; SMN2MAPK1DRD1DRD5KMT2A
SCHEMBL4517890 0.85 SMN1; SMN2 (0.38) F2RL3TSHRPOLBHTTSMN1; SMN2
SCHEMBL4525529 0.85 DRD1 (0.36) TSHRPOLBHTTYTHDC1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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 (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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 F2RL3 521/4885TP53 4385/4885ALOX15 996/4885

“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.