SCHEMBL13436554

SCHEMBL13436554

Cc1cn2c(-c3cn(-c4cc(C(=O)Nc5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)cnc4C)nn3)cnc2cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.48
ABL1 P00519 7/20 0.46
BCR P11274 5/20 0.46
GPR142 Q7Z601 1/20 0.43
MAP3K7 O43318 1/20 0.43
MAP4K2 Q12851 1/20 0.43
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42
KIT P10721 1/20 0.42
HCK P08631 1/20 0.42
NR2C2 P49116 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL13436557 0.88 ABL1 (0.51) BRAFABL1BCR
SCHEMBL13436167 0.84 BRAF (0.55) BRAFABL1BCRDDR1DDR2
SCHEMBL13436601 0.83 ABL1 (0.49) BRAFABL1BCRGPR142MAP4K2
SCHEMBL15869647 0.83 BRAF (0.47) BRAFABL1BCRMAP3K7MAP4K2
SCHEMBL12398369 0.82 BRAF (0.62) BRAFABL1BCRGPR142DDR1
SCHEMBL12398367 0.81 ABL1 (0.70) BRAFABL1BCRGPR142MAP3K7
SCHEMBL15869559 0.81 BRAF (0.54) BRAF
SCHEMBL15869561 0.81 BRAF (0.55) BRAFABL1BCRHCKNR2C2
SCHEMBL13436165 0.81 BRAF (0.45) BRAFABL1BCRMAP3K7MAP4K2
SCHEMBL15869557 0.77 ABL1 (0.48) BRAFABL1BCRGPR142

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
EP-2350052-B1 ANTIPROLIFERATIVE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP claimed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US claimed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
CN-102227421-A Anti-proliferation compounds BOEHRINGER INGELHEIM INT 2011-10-26 CN claimed
EP-2350052-B1 ANTIPROLIFERATIVE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 BRAF 433/4885ABL1 234/4885BCR 641/4885

“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.