SCHEMBL737991

SCHEMBL737991

Cc1cc(-c2nc(Nc3ccc(OC4CCNCC4)cc3)nc(N)c2C)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ ACVR1B P36896 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ PRKCZ Q05513 1/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ SRC P12931 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ YES1 P07947 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34

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
SCHEMBL264946 0.90 KCNH2 (0.46) KCNH2ACVR1BTGFBR1ACVR1IGF1R
SCHEMBL265309 0.89 SYK (0.39) SYK
SCHEMBL737311 0.84 CHRNA7 (0.42) ROCK1KCNH2ACVR1BTGFBR1ACVR1
SCHEMBL264310 0.84 CTSL (0.42) ROCK1KCNH2ACVR1BTGFBR1ACVR1
SCHEMBL264693 0.82 SYK (0.39) ROCK1KCNH2ACVR1BTGFBR1ACVR1
SCHEMBL277891 0.81 AXL (0.36) ROCK1KCNH2ACVR1BTGFBR1ACVR1
SCHEMBL265114 0.76 KDR (0.40) ROCK1PRKCZSRCABL1KDR
SCHEMBL265022 0.76 BRD4 (0.38) ROCK1KCNH2ACVR1BTGFBR1ACVR1
SCHEMBL266088 0.75 BRD4 (0.56) PDGFRBBRD4AXLTYRO3MERTK
SCHEMBL14536378 0.75 ROCK1 (0.46) ROCK1KCNH2IGF1RSYKIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 — — US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 — — US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 — — US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 — — US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 — — US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 — — US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 — — US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 — — 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 (4 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ROCK1 1002/4885KCNH2 3511/4885ACVR1B 2533/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ROCK1 1002/4885KCNH2 3511/4885ACVR1B 2533/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 ROCK1 1002/4885KCNH2 3511/4885ACVR1B 2533/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 ROCK1 1002/4885KCNH2 3511/4885ACVR1B 2533/4885

“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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