SCHEMBL10203243

SCHEMBL10203243

CC(C)(C)c1cccc(C(=O)NCCN2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ POLB P06746 2/20 0.63
▸ EPHX2 P34913 3/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ LMNA P02545 1/20 0.59
▸ CD274 Q9NZQ7 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ MAOA P21397 1/20 0.57
▸ MAOB P27338 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ ERN1 O75460 1/20 0.57
▸ GAA P10253 1/20 0.56

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
SCHEMBL12305542 0.93 SMN1; SMN2 (0.65) CYP2C19CYP2C9POLBEPHX2CYP2D6
SCHEMBL12203378 0.89 MEN1 (0.76) CYP2C19CYP2C9POLBEPHX2CYP1A2
SCHEMBL28037841 0.88 EPHX2 (0.72) CYP2C19CYP2C9POLBEPHX2CYP1A2
SCHEMBL11478379 0.86 CD274 (0.71) POLBEPHX2SMN1; SMN2LMNACD274
SCHEMBL279958 0.84 CYP2C19 (0.72) CYP2C19CYP2C9POLBEPHX2CYP1A2
SCHEMBL9312796 0.83 CYP2C19 (0.70) CYP2C19CYP2C9POLBEPHX2CYP1A2
SCHEMBL9312802 0.83 CYP2C19 (0.71) CYP2C19CYP2C9POLBEPHX2CYP1A2
SCHEMBL12514132 0.82 EPHX2 (0.73) CYP2C19CYP2C9POLBEPHX2CYP1A2
SCHEMBL10264071 0.82 CYP2C19 (0.69) CYP2C19CYP2C9POLBEPHX2CYP1A2
SCHEMBL13155199 0.81 ALDH1A1 (0.64) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-16 — — US disclosed
US-20210101872-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2021-04-08 — — US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 — — US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 — — US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 — — 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 (3 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-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same ABL1, ABL2, MUSK CYP2C19 4032/4885CYP2C9 4385/4885POLB 3784/4885
US-20210101872-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK CYP2C19 4032/4885CYP2C9 4385/4885POLB 3784/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 CYP2C19 2411/4885CYP2C9 2496/4885POLB 2136/4885

“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.

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