SCHEMBL3561815

SCHEMBL3561815

Cc1ccc(N)cc1Nc1nccc(-c2cncc(Br)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.72
BCR P11274 9/20 0.72
PRKCA P17252 3/20 0.53
LCK P06239 1/20 0.52
PDGFRA P16234 6/20 0.49
PDGFRB P09619 5/20 0.49
EGFR P00533 5/20 0.46
SRC P12931 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
ITK Q08881 1/20 0.46
CAMKK2 Q96RR4 1/20 0.45
KIT P10721 2/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 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
SCHEMBL29726383 1.00 ABL1 (0.72) ABL1BCRPRKCALCKPDGFRA
SCHEMBL13157373 0.88 ABL1 (0.75) ABL1BCRPRKCALCKPDGFRA
SCHEMBL14041907 0.86 ABL1 (0.72) ABL1BCRPRKCALCKPDGFRA
SCHEMBL2575958 0.86 ABL1 (0.78) ABL1BCRPRKCALCKPDGFRA
SCHEMBL14041906 0.85 ABL1 (0.78) ABL1BCRPRKCALCKPDGFRA
SCHEMBL3099819 0.84 ABL1 (0.69) ABL1BCRPRKCALCKPDGFRA
SCHEMBL13181932 0.84 ABL1 (0.54) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL29366999 0.84 ABL1 (1.00) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL2392 0.84 ABL1 (1.00) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL29555505 0.84 ABL1 (1.00) ABL1BCRPRKCAPDGFRAPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725005-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20230159514-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2023-05-25 US disclosed
US-10906896-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2021-02-02 US disclosed
US-20200031819-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2020-01-30 US disclosed
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
US-9828370-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2017-11-28 US disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
US-20160311816-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2016-10-27 US disclosed
CN-101456841-B Amide derivative and medicine NIPPON SHINYAKU CO LTD 2012-01-25 CN 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-101456841-A Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2009-06-17 CN disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 WO disclosed
CN-100343237-C Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2007-10-17 CN 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
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
CN-1678590-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2005-10-05 CN disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 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 (7 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-20060014742-A1 Amide derivative ABL1, ABL2, BCR ABL1 1/4885BCR 3/4885PRKCA 323/4885
US-20200031819-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 ABL1 25/4885BCR 545/4885PRKCA 26/4885
US-20160311816-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 ABL1 25/4885BCR 545/4885PRKCA 26/4885
US-10906896-B2 Compositions and methods for inhibiting kinases MAP3K1, PACSIN2, MAP3K3 ABL1 25/4885BCR 545/4885PRKCA 26/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR ABL1 2/4885BCR 3/4885PRKCA 376/4885
US-20230159514-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 ABL1 25/4885BCR 545/4885PRKCA 26/4885
US-11725005-B2 Compositions and methods for inhibiting kinases MAP3K1, PACSIN2, MAP3K3 ABL1 25/4885BCR 545/4885PRKCA 26/4885

“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.