SCHEMBL4254144

SCHEMBL4254144

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(N)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 4/20 0.73
ABL1 P00519 8/20 0.72
BCR P11274 6/20 0.72
EPHB2 P29323 1/20 0.71
LDLR P01130 2/20 0.70
KIT P10721 2/20 0.70
PCSK9 Q8NBP7 2/20 0.70
RAF1 P04049 1/20 0.65
MAP4K2 Q12851 2/20 0.64
MAP3K7 O43318 1/20 0.63
EPHB4 P54760 1/20 0.63
PDGFRB P09619 1/20 0.62

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
SCHEMBL13659898 0.91 NR2E1 (0.77) NR2E1ABL1BCREPHB2LDLR
SCHEMBL23463453 0.89 ABL1 (0.62) NR2E1ABL1BCREPHB2LDLR
SCHEMBL4254143 0.89 NR2E1 (0.71) NR2E1ABL1BCREPHB2LDLR
SCHEMBL589522 0.88 NR2E1 (0.73) NR2E1ABL1BCREPHB2LDLR
SCHEMBL29493483 0.88 NR2E1 (0.73) NR2E1ABL1BCREPHB2LDLR
SCHEMBL4252904 0.88 CSF1R (0.68) NR2E1ABL1BCREPHB2LDLR
SCHEMBL24532047 0.88 NR2E1 (0.73) NR2E1ABL1BCREPHB2LDLR
SCHEMBL24070548 0.88 NR2E1 (0.69) NR2E1ABL1BCREPHB2LDLR
SCHEMBL30211962 0.88 NR2E1 (0.69) NR2E1ABL1BCREPHB2LDLR
SCHEMBL22065195 0.87 EPHB2 (0.75) NR2E1ABL1BCREPHB2LDLR

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
EP-2903614-B1 NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES SPHAERA PHARMA PTE LTD (SG) 2021-09-29 EP disclosed
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 EP disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 US disclosed
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
US-10000470-B1 Method for preparing nilotinib ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2018-06-19 US disclosed
US-10000470-B1 Method for preparing nilotinib ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2018-06-19 US disclosed
US-20180148430-A1 METHOD FOR PREPARING NILOTINIB ASYMCHEM LABORATORIES (FUXIN) CO., LTD (CN) 2018-05-31 US disclosed
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US disclosed
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US disclosed
EP-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP disclosed
EP-1891066-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-22 EP disclosed
EP-2186808-A1 Salts of 4-methyl-n-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide Novartis AG (CH) 2010-05-19 EP disclosed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US disclosed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US disclosed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
WO-2007010014-A2 COMPOSITIONS FOR TREATMENT OF SYSTEMIC MASTOCYTOSIS VALENT PETER (AT) 2007-01-25 WO disclosed
WO-2007005673-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-01-11 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 (8 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-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 NR2E1 1030/4885ABL1 95/4885BCR 33/4885
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB NR2E1 2044/4885ABL1 1/4885BCR 2/4885
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors SRC, FYN, SYK NR2E1 2043/4885ABL1 126/4885BCR 206/4885
US-20180148430-A1 METHOD FOR PREPARING NILOTINIB ABL1, CDK19, ALK NR2E1 3151/4885ABL1 1/4885BCR 76/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A NR2E1 2578/4885ABL1 1429/4885BCR 1416/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 NR2E1 1030/4885ABL1 95/4885BCR 33/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A NR2E1 2578/4885ABL1 1429/4885BCR 1416/4885
US-10000470-B1 Method for preparing nilotinib ABL1, CDK19, ALK NR2E1 3151/4885ABL1 1/4885BCR 76/4885

“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.