SCHEMBL12464972

SCHEMBL12464972

Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(-n4cc(-c5cnc(NCCN6CCCC6)s5)nn4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.52
BCR P11274 8/20 0.52
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
TNK2 Q07912 1/20 0.47
MAP4K2 Q12851 1/20 0.47
BRAF P15056 5/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
YES1 P07947 1/20 0.47
LYN P07948 1/20 0.47
HCK P08631 1/20 0.47
SRC P12931 1/20 0.47
PDGFRA P16234 1/20 0.47
FRK P42685 1/20 0.47
CSF1R P07333 1/20 0.46
EPHB4 P54760 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL12465166 0.90 ABL1 (0.53) ABL1BCRKDM4EPOLBRECQL
SCHEMBL12464973 0.88 ABL1 (0.56) ABL1BCRKDM4EPOLBRECQL
SCHEMBL12465115 0.88 ABL1 (0.58) ABL1BCRKDM4EPOLBRECQL
SCHEMBL12465032 0.85 BRAF (0.51) ABL1BCRTNK2MAP4K2BRAF
SCHEMBL12398453 0.83 ABL1 (0.62) ABL1BCRBRAFLCKFYN
SCHEMBL13960464 0.80 ABL1 (0.48) ABL1BCRBRAFCSF1R
SCHEMBL12398126 0.80 ABL1 (0.69) ABL1BCRMAP4K2BRAFLCK
SCHEMBL12465190 0.80 ABL1 (0.49) ABL1BCRBRAFCSF1R
SCHEMBL12465151 0.80 BRAF (0.55) ABL1BCRBRAFGPR142
SCHEMBL12465141 0.79 BRAF (0.57) ABL1BCRBRAFLCKLYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 ABL1 136/4885BCR 922/4885KDM4E 3042/4885

“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.