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Sugi Predict / Compounds / SCHEMBL9609586

SCHEMBL9609586

SCHEMBL9609586

CN(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.43
▸ BCR P11274 2/20 0.43
▸ DDR1 Q08345 2/20 0.43
▸ DDR2 Q16832 2/20 0.43
▸ CYP2D6 P10635 4/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ TACR1 P25103 3/20 0.39
▸ TACR2 P21452 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL22243488 1.00 ABL1 (0.43) ABL1BCRDDR1DDR2CYP2D6
SCHEMBL17896321 0.88 MAP4K4 (0.49) ABL1BCRDDR1DDR2MAP4K4
SCHEMBL14315491 0.87 ABL1 (0.43) ABL1BCRDDR1DDR2CYP2D6
SCHEMBL9610931 0.87 ABL1 (0.43) ABL1BCRDDR1DDR2CYP2D6
SCHEMBL24192361 0.86 MAP4K4 (0.45) ABL1BCRDDR1DDR2CYP2D6
SCHEMBL24192780 0.86 MAP4K4 (0.45) ABL1BCRDDR1DDR2CYP2D6
SCHEMBL24566587 0.86 MAP4K4 (0.45) ABL1BCRDDR1DDR2CYP2D6
SCHEMBL12852051 0.84 CYP2D6 (0.43) CYP2D6CYP3A4USP2CYP1A2CYP2C19
SCHEMBL24192805 0.84 ABL1 (0.43) ABL1BCRDDR1DDR2CYP2D6
SCHEMBL21709586 0.84 ABL1 (0.41) ABL1BCRDDR1DDR2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20200123165-A1 KINASE INHIBITORS INSILICO MEDICINE LTD. (CN) 2020-04-23 — — US disclosed
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2019-01-31 — — US disclosed
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 — — US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 — — US disclosed
US-20160368917-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMA INC (US) 2016-12-22 — — US disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 — — US disclosed
US-9278971-B2 Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-08 — — US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 — — US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 — — US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 — — US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 — — US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 — — 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 (15 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 ABL1 357/4885BCR 1073/4885DDR1 4773/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA ABL1 1035/4885BCR 2118/4885DDR1 4768/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ABL1 16/4885BCR 621/4885DDR1 715/4885
US-20130005738-A1 Monocyclic Heteroaryl Compounds CYP3A43, CYP2F1, CYP11B2 ABL1 71/4885BCR 452/4885DDR1 4818/4885
US-20160368917-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BCR 250/4885DDR1 4853/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885BCR 2380/4885DDR1 1119/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BCR 250/4885DDR1 4853/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ABL1 110/4885BCR 929/4885DDR1 807/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 ABL1 1/4885BCR 511/4885DDR1 1724/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 ABL1 20/4885BCR 633/4885DDR1 714/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ABL1 16/4885BCR 621/4885DDR1 715/4885
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS CYP3A43, CYP2F1, CYP11B2 ABL1 71/4885BCR 452/4885DDR1 4818/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BCR 250/4885DDR1 4853/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 ABL1 33/4885BCR 527/4885DDR1 1688/4885
US-20200123165-A1 KINASE INHIBITORS DDR1, DDR2, DDRGK1 ABL1 76/4885BCR 1567/4885DDR1 1/4885

“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.