SCHEMBL14908371

SCHEMBL14908371

Cc1cc2ccnc(N)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 6/20 0.47
▸ NOS3 P29474 5/20 0.47
▸ NOS2 P35228 5/20 0.47
▸ NOS1 P29475 3/20 0.47
▸ F12 P00748 2/20 0.47
▸ PLAU P00749 1/20 0.47
▸ NCF1 P14598 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ MAP4K4 O95819 2/20 0.41
▸ UHRF1 Q96T88 2/20 0.41
▸ PLG P00747 1/20 0.40
▸ F11 P03951 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ IL5 P05113 1/20 0.39
▸ MAPT P10636 1/20 0.38

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 0.85 MAPT (0.48) ROCK1NOS3NOS2NOS1F12
SCHEMBL19496863 0.82 WNT3A (0.55) ROCK1MAP4K4
SCHEMBL26968115 0.80 ROCK1 (0.50) ROCK1NOS3NOS2NOS1F12
SCHEMBL30107363 0.80 ROCK1 (0.50) ROCK1NOS3NOS2NOS1F12
SCHEMBL10078326 0.80 CYP2A6 (0.50) CYP1A2CYP2A6UHRF1IL5
SCHEMBL28941499 0.78 ROCK1 (0.49) ROCK1NOS3NOS2NOS1F12
SCHEMBL19497082 0.77 CYP2A6 (0.44) CYP1A2CYP2A6UHRF1IL5MAPT
SCHEMBL17051661 0.77 CYP1A2 (0.56) CYP1A2CYP2A6UHRF1IL5MAPT
SCHEMBL25794807 0.77 ROCK1 (0.44) ROCK1NOS3NOS2NOS1F12
SCHEMBL9984740 0.77 ROCK1 (0.44) ROCK1NOS3NOS2NOS1F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729150-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2016-09-14 — — EP disclosed
US-9161924-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2015-10-20 — — US disclosed
US-8980916-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-17 — — US disclosed
US-20140322195-A1 Factor IXA Inhibitors MERCK SHARP & DOHME LLC 2014-10-30 — — US disclosed
US-20140219989-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2014-08-07 — — US disclosed
WO-2013063068-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-02 — — WO 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-20140219989-A1 FACTOR IXA INHIBITORS F9, F12, F11 ROCK1 306/4885NOS3 2586/4885NOS2 2891/4885
US-20140322195-A1 Factor IXA Inhibitors F9, F12, F11 ROCK1 306/4885NOS3 2586/4885NOS2 2891/4885

“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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