SCHEMBL264946

SCHEMBL264946

COc1cc(-c2nc(Nc3ccc(OC4CCNCC4)cc3)nc(N)c2C)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
TGFBR1 P36897 2/20 0.46
ACVR1 Q04771 2/20 0.46
ACVR1B P36896 1/20 0.46
IGF1R P08069 1/20 0.41
BRD4 O60885 4/20 0.41
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
EGFR P00533 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL737991 0.90 ROCK1 (0.38) KCNH2TGFBR1ACVR1ACVR1BIGF1R
SCHEMBL265309 0.86 SYK (0.39)
SCHEMBL264310 0.85 CTSL (0.42) KCNH2TGFBR1ACVR1ACVR1BBRD4
SCHEMBL265024 0.84 SRC (0.48) BRD4AXLTYRO3MEN1RAD52
SCHEMBL737311 0.82 CHRNA7 (0.42) KCNH2TGFBR1ACVR1ACVR1BBRD4
SCHEMBL266542 0.82 BRD4 (0.59) KCNH2TGFBR1ACVR1ACVR1BBRD4
SCHEMBL264164 0.81 BRD4 (0.45) TGFBR1ACVR1BRD4AXLPOLB
SCHEMBL264693 0.80 SYK (0.39) KCNH2TGFBR1ACVR1ACVR1B
SCHEMBL4524965 0.78 BRD4 (0.49) KCNH2TGFBR1ACVR1BRD4EGFR
SCHEMBL277891 0.78 AXL (0.36) KCNH2TGFBR1ACVR1ACVR1BIGF1R

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 10 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-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 (5 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 KCNH2 3170/4885TGFBR1 1400/4885ACVR1 2986/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KCNH2 3511/4885TGFBR1 1929/4885ACVR1 2583/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KCNH2 3511/4885TGFBR1 1929/4885ACVR1 2583/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 KCNH2 3511/4885TGFBR1 1929/4885ACVR1 2583/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 KCNH2 3511/4885TGFBR1 1929/4885ACVR1 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.