SCHEMBL2301445

SCHEMBL2301445

CCN1CCN(c2cc(NC(=O)c3cnc(C)c(-n4cc(-c5cccnc5)nn4)c3)cc(C(F)(F)F)c2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.52
ABL1 P00519 12/20 0.48
BCR P11274 12/20 0.48
HCK P08631 1/20 0.45
NR2C2 P49116 1/20 0.45
BTK Q06187 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL2301502 0.93 BRAF (0.50) BRAFABL1BCR
SCHEMBL13436559 0.91 BRAF (0.52) BRAFABL1BCRHCKNR2C2
SCHEMBL15869596 0.89 BRAF (0.50) BRAFABL1BCRHCKNR2C2
SCHEMBL15869587 0.89 BRAF (0.49) BRAFABL1BCRHCKNR2C2
SCHEMBL13436558 0.88 ABL1 (0.48) BRAFABL1BCRMKNK1MKNK2
SCHEMBL15943702 0.87 BRAF (0.59) BRAFABL1BCR
SCHEMBL2303742 0.87 HCK (0.44) BRAFABL1BCRHCKNR2C2
SCHEMBL13436413 0.85 ABL1 (0.45) BRAFABL1BCR
SCHEMBL13436567 0.85 ABL1 (0.52) BRAFABL1BCR
SCHEMBL13436555 0.84 ABL1 (0.42) BRAFABL1BCRHCKNR2C2

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 11 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-A2 ANTIPROLIFERATIVE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP claimed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
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.