SCHEMBL4511413

SCHEMBL4511413

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3c(Cl)cccc3Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK14 Q16539 3/20 0.36
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL4525768 0.91 DRD1 (0.39) LMNATSHRPIK3CDPIK3CAPIK3CG
SCHEMBL4505875 0.89 TSHR (0.40) SMN1; SMN2LMNAALDH1A1MAPK14TSHR
SCHEMBL4511040 0.87 LMNA (0.36) HKDC1SMN1; SMN2LMNAALDH1A1MAPK14
SCHEMBL4525878 0.86 SMN1; SMN2 (0.37) HKDC1SMN1; SMN2LMNAALDH1A1MAPK14
SCHEMBL4515658 0.85 MAPT (0.39) LMNAALDH1A1MAPK14TSHRALOX15
SCHEMBL4519094 0.85 MAPK1 (0.47) HKDC1SMN1; SMN2LMNAALDH1A1MAPK14
SCHEMBL4521285 0.85 SMN1; SMN2 (0.39) HKDC1SMN1; SMN2LMNAALDH1A1MAPK14
SCHEMBL4526099 0.84 SMN1; SMN2 (0.38) HKDC1SMN1; SMN2LMNAALDH1A1MAPK14
SCHEMBL4529686 0.83 DRD1 (0.37) LMNAALDH1A1MAPK14TSHRALOX15
SCHEMBL4521828 0.83 MAT2A (0.40) HKDC1SMN1; SMN2ALDH1A1MAPK14TSHR

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 HKDC1 2603/4885SMN1; SMN2 3506/4885LMNA 4529/4885

“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.