SCHEMBL264693

SCHEMBL264693

Cc1c(N)nc(Nc2ccc(OC3CCNCC3)cc2)nc1-c1cccc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.39
ROCK1 Q13464 1/20 0.37
ACVR1 Q04771 2/20 0.36
DYRK1A Q13627 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
KCNH2 Q12809 1/20 0.35
IKBKB O14920 2/20 0.34
PRKCZ Q05513 1/20 0.34
HRH1 P35367 1/20 0.34
CHUK O15111 1/20 0.34
SOS1 Q07889 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL264973 0.86 IGF1R (0.42) ACVR1JAK2JAK3PTK2
SCHEMBL264310 0.82 CTSL (0.42) SYKROCK1ACVR1ACVR1BTGFBR1
SCHEMBL737991 0.82 ROCK1 (0.38) SYKROCK1ACVR1ACVR1BTGFBR1
SCHEMBL737311 0.81 CHRNA7 (0.42) ROCK1ACVR1ACVR1BTGFBR1KCNH2
SCHEMBL265309 0.80 SYK (0.39) SYK
SCHEMBL264946 0.80 KCNH2 (0.46) ACVR1ACVR1BTGFBR1KCNH2
SCHEMBL277891 0.78 AXL (0.36) SYKROCK1ACVR1DYRK1AACVR1B
SCHEMBL265114 0.77 KDR (0.40) ROCK1DYRK1APRKCZHRH1
SCHEMBL265022 0.76 BRD4 (0.38) ROCK1ACVR1DYRK1AACVR1BTGFBR1
SCHEMBL270076 0.75 BRD4 (0.59) SYKROCK1ACVR1DYRK1AACVR1B

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 9 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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK SYK 59/4885ROCK1 1345/4885ACVR1 2986/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SYK 281/4885ROCK1 1002/4885ACVR1 2583/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SYK 281/4885ROCK1 1002/4885ACVR1 2583/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 SYK 281/4885ROCK1 1002/4885ACVR1 2583/4885

“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.