SCHEMBL4552209

SCHEMBL4552209

Cc1cn(-c2cc(C(=O)Nc3cccc(N)c3C)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 7/20 0.61
RAF1 P04049 5/20 0.58
BRAF P15056 3/20 0.58
CSF1R P07333 1/20 0.58
ABL1 P00519 2/20 0.55
BCR P11274 2/20 0.55
EPHB4 P54760 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
AURKA O14965 1/20 0.52
NTRK1 P04629 1/20 0.52
SRC P12931 1/20 0.52
NTRK2 Q16620 1/20 0.52
MAPT P10636 1/20 0.52
EPHB2 P29323 1/20 0.51
LDLR P01130 1/20 0.51
KIT P10721 1/20 0.51
PCSK9 Q8NBP7 1/20 0.51

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
SCHEMBL5033035 0.89 NR2E1 (0.59) NR2E1RAF1BRAFCSF1RABL1
SCHEMBL29529248 0.84 NR2E1 (0.55) NR2E1RAF1BRAFCSF1RABL1
SCHEMBL1420281 0.82 NR2E1 (0.74) NR2E1RAF1BRAFCSF1RABL1
SCHEMBL4252904 0.82 CSF1R (0.68) NR2E1RAF1BRAFCSF1RABL1
SCHEMBL22745766 0.80 NR2E1 (0.62) NR2E1RAF1BRAFCSF1RKDM4E
SCHEMBL1420490 0.80 NR2E1 (0.67) NR2E1RAF1BRAFCSF1RABL1
SCHEMBL18239969 0.79 NR2E1 (0.63) NR2E1RAF1BRAFCSF1RKDM4E
SCHEMBL12171374 0.79 NR2E1 (0.63) NR2E1RAF1BRAFCSF1RKDM4E
SCHEMBL15381989 0.78 CSF1R (0.71) NR2E1RAF1BRAFCSF1RABL1
SCHEMBL21612152 0.78 CSF1R (0.71) NR2E1RAF1BRAFCSF1RABL1

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-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
JP-2007504159-A 2007-03-01 JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX NR2E1 2028/4885RAF1 6/4885BRAF 7/4885

“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.