SCHEMBL2579444

SCHEMBL2579444

Nc1ccc(CO)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
TSHR P16473 3/20 0.57
GLA P06280 1/20 0.57
POLB P06746 1/20 0.57
NR1H2 P55055 1/20 0.53
IDO1 P14902 2/20 0.42
KIF11 P52732 4/20 0.40
AR P10275 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SRC P12931 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL29889088 1.00 GAA (0.57) GAATSHRGLAPOLBNR1H2
SCHEMBL2794348 0.86 GAA (0.52) GAATSHRGLAPOLBNR1H2
SCHEMBL18071005 0.86 GAA (0.50) GAATSHRGLAPOLBNR1H2
SCHEMBL29819373 0.86 GAA (0.50) GAATSHRGLAPOLBNR1H2
SCHEMBL8174853 0.85 GAA (0.59) GAATSHRGLAPOLBNR1H2
SCHEMBL545969 0.83 GAA (0.57) GAATSHRGLAPOLBNR1H2
SCHEMBL2795028 0.82 GAA (0.47) GAATSHRGLAPOLBNR1H2
SCHEMBL16045156 0.82 NR1H2 (0.49) GAATSHRGLAPOLBNR1H2
SCHEMBL282158 0.82 NR1H2 (0.55) GAATSHRGLAPOLBNR1H2
SCHEMBL26460616 0.82 GAA (0.55) GAATSHRGLAPOLBNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2018-02-15 US claimed
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2016-12-15 US claimed
WO-2016201203-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-12-15 WO claimed
US-20260070915-A1 SUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINES AS SELECTIVE CDK2/4 INHIBITORS INCYTE CORP (US) 2026-03-12 US disclosed
EP-4648851-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE Astrazeneca AB (SE) 2025-11-19 EP disclosed
US-12440494-B2 Compounds useful for inhibiting RAF dimers ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-10-14 US disclosed
EP-4313293-B1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-05-07 EP disclosed
EP-4506349-A2 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-02-12 EP disclosed
US-20240391936-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-11-28 US disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
WO-2009003999-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO disclosed
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 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 (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-20240391936-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 GAA 3989/4885TSHR 915/4885GLA 4024/4885
US-20260070915-A1 SUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINES AS SELECTIVE CDK2/4 INHIBITORS CDK4, CDK2, CCNC GAA 3867/4885TSHR 1987/4885GLA 3549/4885
US-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 GAA 791/4885TSHR 1774/4885GLA 2549/4885
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 GAA 844/4885TSHR 4724/4885GLA 4653/4885
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 GAA 1619/4885TSHR 953/4885GLA 3378/4885
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 GAA 1619/4885TSHR 953/4885GLA 3378/4885
US-12440494-B2 Compounds useful for inhibiting RAF dimers BRAF, RAF1, NRAS GAA 4845/4885TSHR 52/4885GLA 3928/4885

“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.