SCHEMBL19853653

SCHEMBL19853653

Cc1cc2cc(Cc3cc4c(N)nccc4cn3)ccc2cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 4/20 0.43
▸ KLKB1 P03952 13/20 0.42
▸ KLK1 P06870 8/20 0.42
▸ MAP4K1 Q92918 5/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36

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
SCHEMBL10144228 0.78 MAPT (0.48) ROCK1KLKB1MAPTCYP1A2CYP2A6
SCHEMBL16881300 0.77 KLKB1 (0.70) KLKB1KLK1MAP4K1
SCHEMBL17909748 0.74 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL17442590 0.72 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL14908371 0.71 ROCK1 (0.47) ROCK1KLKB1MAPTCYP1A2CYP2A6
SCHEMBL16881369 0.70 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL805508 0.68 CYP1A2 (0.53) MAPTCYP1A2CYP2A6
SCHEMBL3065915 0.68 CYP2A6 (0.57) ROCK1MAPTCYP1A2CYP2A6
SCHEMBL21363718 0.68 CYP19A1 (0.41) ROCK1KLKB1KLK1MAPTCYP1A2
SCHEMBL17253659 0.68 ABL1 (0.49) CYP1A2CYP2A6

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 — — US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 — — 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 (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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 ROCK1 3758/4885KLKB1 192/4885KLK1 637/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 ROCK1 3758/4885KLKB1 192/4885KLK1 637/4885

“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.

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