SCHEMBL104516

SCHEMBL104516

CC(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
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
POLB P06746 2/20 0.63
EPHX2 P34913 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
CD274 Q9NZQ7 3/20 0.58
HPGD P15428 1/20 0.58
ACACB O00763 1/20 0.57
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
PARP1 P09874 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL12057347 0.89 TP53BP1 (0.57) CYP2C19CYP2C9CYP1A2CYP2D6POLB
SCHEMBL178529 0.85 CD274 (0.74) CYP2C19CYP1A2CYP2D6POLBEPHX2
SCHEMBL279958 0.84 CYP2C19 (0.72) CYP2C19CYP2C9CYP1A2CYP2D6POLB
SCHEMBL9312796 0.83 CYP2C19 (0.70) CYP2C19CYP2C9CYP1A2CYP2D6POLB
SCHEMBL9312802 0.83 CYP2C19 (0.71) CYP2C19CYP2C9CYP1A2CYP2D6POLB
SCHEMBL12057365 0.82 POLB (0.56) CYP2C19CYP2C9CYP1A2CYP2D6POLB
SCHEMBL12514132 0.82 EPHX2 (0.73) CYP2C19CYP2C9CYP1A2CYP2D6POLB
SCHEMBL10264071 0.82 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP2D6POLB
SCHEMBL2720343 0.81 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP2D6POLB
SCHEMBL29584690 0.81 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP2D6POLB

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 7 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 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 (4 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CYP2C19 3701/4885CYP2C9 3302/4885CYP1A2 1779/4885
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same ABL1, ABL2, MUSK CYP2C19 4032/4885CYP2C9 4385/4885CYP1A2 4396/4885
US-20210101872-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK CYP2C19 4032/4885CYP2C9 4385/4885CYP1A2 4396/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS CYP2C19 250/4885CYP2C9 231/4885CYP1A2 93/4885

“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.