Sugi Predict

Sugi Predict / Compounds / SCHEMBL589689

SCHEMBL589689

SCHEMBL589689

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 18/20 1.00
▸ CYP3A4 P08684 7/20 0.89
▸ KCNH2 Q12809 7/20 0.89
▸ LCK P06239 3/20 0.81
▸ SRC P12931 3/20 0.81
▸ PDGFRA P16234 3/20 0.81
▸ EPHB2 P29323 3/20 0.81
▸ EPHB3 P54753 3/20 0.81
▸ EPHB4 P54760 3/20 0.81
▸ DDR2 Q16832 2/20 0.81
▸ ABL2 P42684 2/20 0.81
▸ GAK O14976 1/20 0.81
▸ MLNR O43193 1/20 0.81
▸ RIPK2 O43353 1/20 0.81
▸ JAK2 O60674 1/20 0.81
▸ NR1I2 O75469 1/20 0.81
▸ ABCB11 O95342 1/20 0.81
▸ MAP4K4 O95819 1/20 0.81
▸ EGFR P00533 1/20 0.81
▸ NR3C1 P04150 1/20 0.81

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
SCHEMBL12989619 1.00 ABL1 (1.00) ABL1CYP3A4KCNH2LCKSRC
SCHEMBL22559505 0.94 ABL1 (1.00) ABL1CYP3A4KCNH2LCKSRC
SCHEMBL13194694 0.93 ABL1 (0.88) ABL1CYP3A4KCNH2LCKSRC
SCHEMBL15242137 0.92 ABL1 (0.85) ABL1CYP3A4KCNH2LCKSRC
SCHEMBL21367370 0.92 ABL1 (0.85) ABL1CYP3A4KCNH2LCKSRC
SCHEMBL15473029 0.91 ABL1 (0.83) ABL1CYP3A4KCNH2LCKSRC
SCHEMBL24122640 0.90 ABL1 (1.00) ABL1CYP3A4KCNH2LCKSRC
SCHEMBL30011304 0.90 ABL1 (1.00) ABL1CYP3A4KCNH2LCKSRC
Ponatinib SCHEMBL589260 0.89 ABL1 (1.00) ABL1CYP3A4KCNH2LCKSRC
SCHEMBL588806 0.89 ABL1 (1.00) ABL1CYP3A4KCNH2LCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3417912-B1 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2020-08-12 — — EP claimed
EP-3417912-A1 BICYCLIC HETEROARYL COMPOUNDS ARIAD Pharmaceuticals, Inc. (US) 2018-12-26 — — EP claimed
US-9029533-B2 Substituted acetylenic imidazo[1,2-A]pyridazines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-05-12 — — US claimed
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 — — US claimed
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 — — US claimed
EP-2694066-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE ARIAD Pharmaceuticals, Inc (US) 2014-02-12 — — EP claimed
EP-2694064-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES Ariad Pharmaceuticals, Incorporated (US) 2014-02-12 — — EP claimed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 — — US claimed
WO-2013101281-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE ARIAD PHARMACEUTICALS, INC. (US) 2013-07-04 — — WO claimed
EP-1973545-B1 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2013-01-30 — — EP claimed
WO-2012139027-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2012-10-11 — — WO claimed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 — — US claimed
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 — — US disclosed
US-20220081440-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. 2022-03-17 — — US disclosed
EP-3747441-A1 BICYCLIC HETEROARYL COMPOUNDS ARIAD Pharmaceuticals, Inc. (US) 2020-12-09 — — EP disclosed
EP-3417912-B1 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2020-08-12 — — EP disclosed
EP-1973545-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2008-10-01 — — EP disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 — — US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 — — US disclosed
WO-2007075869-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-07-05 — — 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 (6 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-20220081440-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885CYP3A4 1285/4885KCNH2 1388/4885
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease PARK7, SNCA, HTT ABL1 2649/4885CYP3A4 2557/4885KCNH2 512/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885CYP3A4 4549/4885KCNH2 3427/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885CYP3A4 14/4885KCNH2 1587/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885CYP3A4 14/4885KCNH2 1587/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885CYP3A4 1285/4885KCNH2 1388/4885

“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.