SCHEMBL4254627

SCHEMBL4254627

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1N

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 7/20 0.79
▸ BRAF P15056 10/20 0.74
▸ EGFR P00533 8/20 0.74
▸ ABL1 P00519 2/20 0.67

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
SCHEMBL3561769 0.96 KIT (0.76) KITBRAFEGFRABL1
SCHEMBL3389535 0.92 HTT (0.71) KITBRAFEGFR
SCHEMBL12871531 0.91 KIT (0.84) KITBRAFEGFRABL1
SCHEMBL4256157 0.90 KIT (0.64) KITBRAFEGFRABL1
SCHEMBL4255712 0.90 KIT (0.64) KITBRAFEGFRABL1
SCHEMBL21944007 0.89 KIT (0.81) KITBRAFEGFRABL1
SCHEMBL17537391 0.89 KIT (0.80) KITBRAFEGFRABL1
SCHEMBL4254621 0.89 KIT (0.77) KITBRAFEGFRABL1
SCHEMBL4906673 0.89 KIT (0.79) KITBRAFEGFRABL1
SCHEMBL30080656 0.89 KIT (1.00) KITBRAFEGFRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 — — US claimed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 — — US claimed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 — — 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-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-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 — — US disclosed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 — — US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 — — US disclosed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 — — EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 — — 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 (4 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB KIT 683/4885BRAF 8/4885EGFR 42/4885
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK KIT 115/4885BRAF 102/4885EGFR 98/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A KIT 495/4885BRAF 65/4885EGFR 1058/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A KIT 495/4885BRAF 65/4885EGFR 1058/4885

“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.

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