SCHEMBL3561586

SCHEMBL3561586

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2ccncc2)cs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 8/20 0.71
▸ CSF1R P07333 7/20 0.71
▸ BRAF P15056 6/20 0.68
▸ ABL1 P00519 7/20 0.67
▸ LYN P07948 3/20 0.67
▸ BCR P11274 3/20 0.67
▸ EGFR P00533 5/20 0.66
▸ ERBB2 P04626 1/20 0.66
▸ LCK P06239 1/20 0.66
▸ FYN P06241 1/20 0.66
▸ YES1 P07947 1/20 0.66
▸ HCK P08631 1/20 0.66
▸ PDGFRB P09619 1/20 0.66
▸ FGR P09769 1/20 0.66
▸ PIM1 P11309 1/20 0.66
▸ SLC25A6 P12236 1/20 0.66
▸ SRC P12931 1/20 0.66
▸ NQO2 P16083 1/20 0.66
▸ PDGFRA P16234 1/20 0.66
▸ EPHA3 P29320 1/20 0.66

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
Hydrochloric Acid SCHEMBL6014047 0.99 KIT (0.70) KITCSF1RBRAFABL1LYN
SCHEMBL5025223 0.97 BRAF (0.73) KITCSF1RBRAFABL1LYN
SCHEMBL4830586 0.93 KIT (0.77) KITCSF1RBRAFABL1LYN
SCHEMBL14286285 0.91 ABL1 (0.71) KITCSF1RBRAFABL1LYN
SCHEMBL13349541 0.90 ABL1 (0.68) KITCSF1RBRAFABL1LYN
SCHEMBL6431039 0.89 ABL1 (0.70) KITCSF1RBRAFABL1LYN
SCHEMBL715899 0.86 KIT (0.85) KITCSF1RBRAFABL1LYN
SCHEMBL22024637 0.85 KIT (0.68) KITCSF1RBRAFABL1LYN
SCHEMBL14286281 0.84 ABL1 (0.84) KITCSF1RBRAFABL1LYN
SCHEMBL717080 0.84 ABL1 (0.80) KITCSF1RBRAFABL1LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 — — EP claimed
CN-101456841-A Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2009-06-17 — — CN claimed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 — — US claimed
CN-1898208-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2007-01-17 — — CN claimed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 — — EP claimed
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 — — EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 — — EP disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 — — US disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 — — US disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 — — US disclosed
CN-100526298-C Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2009-08-12 — — CN disclosed
CN-101456841-A Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2009-06-17 — — CN disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 — — US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 — — US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 — — US disclosed
CN-1898208-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2007-01-17 — — CN disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 — — EP 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-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR KIT 1217/4885CSF1R 865/4885BRAF 114/4885

“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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