SCHEMBL589855

SCHEMBL589855

CN1CCN(Cc2ccc(NC(=O)c3cccc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 1.00
ABL2 P42684 3/20 0.80
DDR1 Q08345 3/20 0.80
MAPK14 Q16539 2/20 0.80
FGFR1 P11362 2/20 0.80
KDR P35968 2/20 0.80
DDR2 Q16832 2/20 0.80
KIT P10721 2/20 0.80
GAK O14976 1/20 0.80
MLNR O43193 1/20 0.80
RIPK2 O43353 1/20 0.80
JAK2 O60674 1/20 0.80
NR1I2 O75469 1/20 0.80
ABCB11 O95342 1/20 0.80
MAP4K4 O95819 1/20 0.80
EGFR P00533 1/20 0.80
NR3C1 P04150 1/20 0.80
ERBB2 P04626 1/20 0.80
NTRK1 P04629 1/20 0.80
LCK P06239 1/20 0.80

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
SCHEMBL31474784 0.92 ABL1 (0.85) ABL1ABL2DDR1MAPK14FGFR1
SCHEMBL21843568 0.92 ABL1 (0.85) ABL1ABL2DDR1MAPK14FGFR1
SCHEMBL21843533 0.90 ABL1 (0.81) ABL1ABL2DDR1MAPK14FGFR1
Ponatinib SCHEMBL29889039 0.89 ABL1 (1.00) ABL1ABL2DDR1MAPK14FGFR1
Ponatinib SCHEMBL589260 0.89 ABL1 (1.00) ABL1ABL2DDR1MAPK14FGFR1
Ponatinib SCHEMBL29373892 0.89 ABL1 (1.00) ABL1ABL2DDR1MAPK14FGFR1
Ponatinib SCHEMBL29353054 0.89 ABL1 (1.00) ABL1ABL2DDR1MAPK14FGFR1
SCHEMBL24123165 0.88 ABL1 (1.00) ABL1ABL2DDR1MAPK14FGFR1
SCHEMBL30011065 0.88 ABL1 (1.00) ABL1ABL2DDR1MAPK14FGFR1
SCHEMBL22170078 0.88 ABL1 (0.86) ABL1ABL2DDR1MAPK14FGFR1

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 58 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
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2014-02-13 US claimed
EP-2694066-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE ARIAD Pharmaceuticals, Inc (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
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
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-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 122/4885ABL2 328/4885DDR1 1119/4885
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease PARK7, SNCA, HTT ABL1 2649/4885ABL2 2955/4885DDR1 4848/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885ABL2 231/4885DDR1 2431/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885DDR1 4853/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA ABL1 4036/4885ABL2 3737/4885DDR1 4786/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885DDR1 4853/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885DDR1 4853/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885ABL2 328/4885DDR1 1119/4885

“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.