SCHEMBL938434

SCHEMBL938434

NC(Cc1ccccc1)c1cc(-c2ccc3[nH]c(=O)cc(O)c3c2)cnn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRD4 O60885 2/20 0.39
F11 P03951 3/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CDK2 P24941 4/20 0.37
CDK7 P50613 4/20 0.37
CYP2C9 P11712 1/20 0.36
KLKB1 P03952 1/20 0.36
ROCK1 Q13464 2/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL938433 1.00 ROCK2 (0.43) ROCK2KDM4EALDH1A1BRD4F11
SCHEMBL4146643 0.83 ROCK2 (0.43) ROCK2KDM4EALDH1A1BRD4F11
SCHEMBL4158845 0.80 ROCK2 (0.41) ROCK2KDM4EALDH1A1BRD4F11
SCHEMBL3434356 0.76 ROCK2 (0.40) ROCK2F11CDK2CDK7ROCK1
SCHEMBL1196662 0.75 ROCK2 (0.48) ROCK2KDM4EALDH1A1F11KLKB1
SCHEMBL1196664 0.75 ROCK2 (0.48) ROCK2KDM4EALDH1A1F11KLKB1
SCHEMBL13554564 0.75 ROCK2 (0.48) ROCK2KDM4EALDH1A1BRD4F11
SCHEMBL9724160 0.72 KDM4E (0.64) KDM4EALDH1A1BRD4TLR8TLR7
SCHEMBL479101 0.68 F11 (0.51) ROCK2F11KLKB1ROCK1
SCHEMBL479102 0.68 F11 (0.51) ROCK2F11KLKB1ROCK1

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-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 ROCK2 596/4885KDM4E 1441/4885ALDH1A1 2830/4885

“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.