SCHEMBL264383

SCHEMBL264383

C/C(=N\O)c1ccc2[nH]ncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
CTNNB1 P35222 6/20 0.51
WNT3A P56704 6/20 0.51
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 3/20 0.49
NOS1 P29475 3/20 0.47
METAP2 P50579 1/20 0.47
CSNK2A1 P68400 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 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
SCHEMBL264384 1.00 RAB9A (0.57) RAB9AMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL16617733 0.82 CTNNB1 (0.56) RAB9AMAPTCTNNB1WNT3AROCK2
SCHEMBL12601125 0.80 ROCK2 (0.51) RAB9AMAPTCTNNB1WNT3AROCK2
SCHEMBL774795 0.80 ROCK2 (0.51) RAB9AMAPTCTNNB1WNT3AROCK2
SCHEMBL774794 0.80 ROCK2 (0.51) RAB9AMAPTCTNNB1WNT3AROCK2
SCHEMBL29521387 0.79 ROCK2 (0.64) RAB9AMAPTCTNNB1WNT3AROCK2
SCHEMBL122504 0.79 ROCK2 (0.64) RAB9AMAPTCTNNB1WNT3AROCK2
SCHEMBL14738116 0.79 CTNNB1 (0.54) RAB9AMAPTCTNNB1WNT3AROCK2
SCHEMBL1210126 0.77 CTNNB1 (0.43) RAB9AMAPTCTNNB1WNT3AROCK2
SCHEMBL1210124 0.77 CTNNB1 (0.43) RAB9AMAPTCTNNB1WNT3AROCK2

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 RAB9A 1112/4885MAPT 4405/4885CYP1A2 882/4885

“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.