SCHEMBL17790720

SCHEMBL17790720

CNC(=O)c1cccc(Cn2cc(-c3ccc(C#N)cc3)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.57
▸ CREBBP Q92793 1/20 0.55
▸ SCD O00767 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ KLKB1 P03952 2/20 0.47
▸ EGLN2 Q96KS0 1/20 0.47
▸ ITK Q08881 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TAS2R8 Q9NYW2 2/20 0.45
▸ ALK Q9UM73 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2713277 0.88 CREBBP (0.55) ROCK2CREBBPSCDKDM4EKLKB1
SCHEMBL2712569 0.87 L3MBTL1 (0.60) ROCK2CREBBPSCDKLKB1ITK
SCHEMBL18929424 0.83 KDM4E (0.49) ROCK2KDM4EKLKB1POLBTDP1
SCHEMBL2711095 0.75 ROCK2 (0.64) ROCK2
SCHEMBL2710561 0.75 ROCK2 (0.60) ROCK2
SCHEMBL2714542 0.75 ROCK2 (0.60) ROCK2
SCHEMBL2727366 0.75 ROCK2 (0.60) ROCK2
SCHEMBL2711086 0.74 ROCK2 (0.64) ROCK2
SCHEMBL2710890 0.74 ROCK2 (0.63) ROCK2
SCHEMBL17783801 0.74 ROCK2 (1.00) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — 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-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK2 4/4885CREBBP 2860/4885SCD 1897/4885

“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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