SCHEMBL4262247

SCHEMBL4262247

Cc1nc(NC2CCC(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)CC2)cc(N(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.55
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 2/20 0.49
LMNA P02545 2/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 6/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL4262243 1.00 GHSR (0.55) GHSRPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL6458566 0.84 GHSR (0.52) GHSRPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL6463675 0.84 GHSR (0.52) GHSRPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL6463041 0.84 GHSR (0.55) GHSRPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL6463048 0.84 GHSR (0.55) GHSRPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL6457762 0.79 GHSR (0.57) GHSRSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL6457757 0.79 GHSR (0.57) GHSRSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL13793328 0.78 MCHR1 (0.64) GHSRPOLBALDH1A1KMT2AMEN1
SCHEMBL6461762 0.78 HTT (0.53) GHSRPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL6461754 0.78 HTT (0.53) GHSRPOLBSMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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 (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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 GHSR 578/4885POLB 1164/4885SMN1; SMN2 898/4885

“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.