SCHEMBL7121368

SCHEMBL7121368

COc1nc(N)cc(OCCCC#N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.39
POLB P06746 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
FGFR1 P11362 1/20 0.33
CYP1A2 P05177 6/20 0.33
ENPP1 P22413 1/20 0.32
CYP3A4 P08684 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
APAF1 O14727 1/20 0.32
CASP3 P42574 1/20 0.32
CASP6 P55212 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 2/20 0.32

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
SCHEMBL504020 0.73 LMNA (0.50) ALOX5APFEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL29693606 0.73 LMNA (0.50) ALOX5APFEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL13351700 0.69 MAPT (0.41) CYP3A4ALDH1A1HSD17B10HPGDMEN1
SCHEMBL8788979 0.68 ALOX5AP (0.38) ALOX5APFEN1CYP3A4ALDH1A1MEN1
SCHEMBL20606895 0.65 ALDH1A1 (0.44) POLBCYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL13713702 0.64 LMNA (0.44) ALDH1A1LMNAATML3MBTL1
SCHEMBL6335755 0.63 LMNA (0.43) CYP1A2CYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL10398846 0.63 CDK1 (0.43) POLBCYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL28281923 0.63 NUDT1 (0.41) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL11462527 0.63 PIM1 (0.40) CYP3A4ALDH1A1NPC1RAB9ALMNA

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-20030114414-A1 Methods for synthesizing substituted pyrimidines NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 US disclosed
WO-2002102769-A2 METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES UNIVERSITY OF MASSACHUSETTS (US) 2002-12-27 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-20030114414-A1 Methods for synthesizing substituted pyrimidines TYMP, NUDT1, TYMS LTB4R 2366/4885POLB 49/4885ALOX5AP 1258/4885

“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.