SCHEMBL13436166

SCHEMBL13436166

CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)cnc3C)nn2)s1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 4/20 0.43
DDR2 Q16832 4/20 0.43
KIT P10721 1/20 0.43
BRAF P15056 14/20 0.42
ABL1 P00519 3/20 0.41
BCR P11274 2/20 0.41

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
SCHEMBL12397466 0.91 ABL1 (0.51) DDR1DDR2KITBRAFABL1
SCHEMBL12397493 0.91 ABL1 (0.52) DDR1DDR2KITBRAFABL1
SCHEMBL15869586 0.87 BRAF (0.45) DDR1DDR2KITBRAFABL1
SCHEMBL12465190 0.86 ABL1 (0.49) BRAFABL1BCR
SCHEMBL12397497 0.85 ABL1 (0.53) DDR1DDR2KITBRAFABL1
SCHEMBL12397120 0.85 ABL1 (0.52) DDR1DDR2KITBRAFABL1
SCHEMBL12397472 0.85 ABL1 (0.47) BRAFABL1BCR
SCHEMBL12397495 0.85 ABL1 (0.49) DDR1DDR2KITABL1BCR
SCHEMBL12397561 0.85 ABL1 (0.50) DDR1DDR2KITBRAFABL1
SCHEMBL13436655 0.84 BRAF (0.50) DDR1DDR2KITBRAFABL1

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
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
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 DDR1 1452/4885DDR2 2603/4885KIT 595/4885

“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.