SCHEMBL15869596

SCHEMBL15869596

CCN1CCN(c2cc(NC(=O)c3cnc(C)c(-n4cc(-c5cncc(OC)c5)nn4)c3)cc(C(F)(F)F)c2C)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.50
ABL1 P00519 11/20 0.45
BCR P11274 11/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
UBE2N P61088 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PAX8 Q06710 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
SCHEMBL13436559 0.91 BRAF (0.52) BRAFABL1BCRHCKNR2C2
SCHEMBL2301502 0.90 BRAF (0.50) BRAFABL1BCR
SCHEMBL2301445 0.89 BRAF (0.52) BRAFABL1BCRHCKNR2C2
SCHEMBL15869587 0.89 BRAF (0.49) BRAFABL1BCRKDM4EMAPT
SCHEMBL15869736 0.86 BRAF (0.48) BRAFABL1BCR
SCHEMBL13436558 0.85 ABL1 (0.48) BRAFABL1BCR
SCHEMBL2303742 0.84 HCK (0.44) BRAFABL1BCRHCKNR2C2
SCHEMBL13436413 0.83 ABL1 (0.45) BRAFABL1BCR
SCHEMBL13436567 0.82 ABL1 (0.52) BRAFABL1BCR
SCHEMBL13436170 0.82 ABL1 (0.52) ABL1BCR

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 7 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
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

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.