SCHEMBL4119429

SCHEMBL4119429

c1cncc(-c2ncc3ncccc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.60
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CLK4 Q9HAZ1 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL4107384 0.85 NPC1 (0.56) CYP2A6ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4116432 0.84 PDGFRB (0.47) CYP2A6ALDH1A1LMNAMAPTKDM4E
SCHEMBL30523855 0.82 ALDH1A1 (0.52) CYP2A6ALDH1A1LMNAHSD17B10MAPT
SCHEMBL27483583 0.82 CYP2A6 (0.56) CYP2A6ALDH1A1LMNAHSD17B10MAPT
SCHEMBL3923034 0.77 MAPK14 (0.45) ALDH1A1LMNAHSD17B10MAPTKDM4E
SCHEMBL2100709 0.76 CYP2A6 (1.00) CYP2A6ALDH1A1LMNAHSD17B10MAPT
SCHEMBL8016565 0.75 CYP2A6 (0.65) CYP2A6ALDH1A1LMNAHSD17B10MAPT
SCHEMBL3997209 0.75 NPC1 (0.54) CYP2A6ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL3922874 0.75 NPC1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL4122918 0.75 CYP1A2 (0.44) ALDH1A1LMNAHSD17B10MAPTKDM4E

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-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (2 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CYP2A6 281/4885ALDH1A1 1225/4885LMNA 567/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CYP2A6 281/4885ALDH1A1 1225/4885LMNA 567/4885

“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.