SCHEMBL4520401

SCHEMBL4520401

Cn1cnc2c(=O)n(-c3ccc(F)c(F)c3)c(Cc3c(F)ccc(F)c3Cl)nc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.35
MALT1 Q9UDY8 1/20 0.34
MAPK14 Q16539 2/20 0.33
YTHDC1 Q96MU7 1/20 0.32
POLB P06746 2/20 0.32
TRPA1 O75762 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
CDK1 P06493 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD1 P21728 2/20 0.30
DRD5 P21918 2/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL4524609 0.92 DRD1 (0.36) MAPK14YTHDC1POLBCDK1ALDH1A1
SCHEMBL4525878 0.91 SMN1; SMN2 (0.37) MAPK14YTHDC1CDK1ALDH1A1CYP1A2
SCHEMBL4521219 0.88 MALT1 (0.35) BRD9MALT1MAPK14POLBTRPA1
SCHEMBL4515398 0.87 GRM1 (0.37) BRD9MAPK14YTHDC1POLBTRPA1
SCHEMBL4520689 0.86 MAOB (0.37) BRD9MALT1MAPK14YTHDC1POLB
SCHEMBL4513062 0.85 DRD1 (0.36) BRD9MAPK14YTHDC1POLBDRD1
SCHEMBL4772515 0.85 KMT2A (0.38) BRD9MAPK14YTHDC1POLBCYP1A2
SCHEMBL4525470 0.84 MAPK1 (0.44) BRD9MALT1MAPK14POLBALDH1A1
SCHEMBL4524591 0.84 POLB (0.36) BRD9POLBALDH1A1HSD17B10DRD1
SCHEMBL4515658 0.83 MAPT (0.39) MAPK14ALDH1A1HSD17B10DRD1DRD5

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 BRD9 1135/4885MALT1 926/4885MAPK14 3169/4885

“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.