SCHEMBL13712396

SCHEMBL13712396

Cc1ccnc(-c2cnc3ccccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
CYP2A6 P11509 2/20 0.53
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
MAP4K4 O95819 2/20 0.48
CSNK1G2 P78368 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
MAPKAPK2 P49137 3/20 0.47
PIM1 P11309 2/20 0.47
CLK2 P49760 2/20 0.47
DYRK1A Q13627 2/20 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
SCHEMBL27062709 0.81 PDGFRB (0.54) CYP1A2PDGFRBPDGFRACYP2A6ALDH1A1
SCHEMBL18812500 0.80 PDGFRB (0.61) CYP1A2PDGFRBPDGFRACYP2A6CCR1
SCHEMBL12386954 0.79 CYP1A2 (0.62) CYP1A2PDGFRBPDGFRACYP2A6CCR1
SCHEMBL16805027 0.78 CCR1 (0.55) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL29378350 0.77 BIRC5 (0.66) CYP1A2PDGFRBPDGFRACYP2A6ALDH1A1
SCHEMBL15344108 0.77 BIRC5 (0.66) CYP1A2PDGFRBPDGFRACYP2A6ALDH1A1
SCHEMBL32667946 0.76 PDGFRB (0.77) CYP1A2PDGFRBPDGFRACYP2A6ALDH1A1
SCHEMBL2772360 0.76 PDGFRB (0.77) CYP1A2PDGFRBPDGFRACYP2A6ALDH1A1
SCHEMBL23555381 0.76 PDGFRB (0.66) CYP1A2PDGFRBPDGFRACYP2A6ALDH1A1
SCHEMBL8370258 0.76 PDGFRB (0.66) CYP1A2PDGFRBPDGFRACYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 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 (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-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases CYP11B1, HSD11B1, HSD17B1 CYP1A2 38/4885PDGFRB 2920/4885PDGFRA 4093/4885

“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.