SCHEMBL8224692

SCHEMBL8224692

CC(C)c1ccc(CN)o1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.42
CYP2D6 P10635 8/20 0.42
CYP2B6 P20813 8/20 0.42
CYP2C19 P33261 8/20 0.42
CYP2E1 P05181 7/20 0.42
CYP2C9 P11712 6/20 0.42
CYP3A4 P08684 6/20 0.42
CYP1A2 P05177 7/20 0.36
CYP2C8 P10632 5/20 0.36
ALOX5 P09917 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL24538772 0.86 CYP2A6 (0.42) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL9603309 0.86 CYP2A6 (0.42) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL20766587 0.80 IDO1 (0.36) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL9967682 0.78 CHRM2 (0.37) ALOX5
SCHEMBL15047772 0.77 CYP2D6 (0.44) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL16213682 0.76 NPC1 (0.36) ALOX5
SCHEMBL17929805 0.76 ALOX5 (0.30) ALOX5
SCHEMBL246123 0.76 CYP2A6 (0.42) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL9967681 0.76 ALDH1A1 (0.43) CYP2A6CYP2C19CYP2C9CYP1A2ALOX5
SCHEMBL30704427 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2021-04-20 US disclosed
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-10-15 US disclosed
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-11-09 US disclosed
US-9744176-B2 Therapeutic uses of novel thienopyrimidine derivatives SANOFI (FR) 2017-08-29 US disclosed
US-9744176-B2 Therapeutic uses of novel thienopyrimidine derivatives SANOFI (FR) 2017-08-29 US disclosed
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-12-10 US disclosed
US-9115140-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2015-08-25 US disclosed
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2013-10-03 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 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 (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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R CYP2A6 983/4885CYP2D6 1688/4885CYP2B6 1356/4885
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CYP2A6 309/4885CYP2D6 19/4885CYP2B6 37/4885
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CYP2A6 172/4885CYP2D6 12/4885CYP2B6 19/4885
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CYP2A6 144/4885CYP2D6 10/4885CYP2B6 18/4885
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR CYP2A6 64/4885CYP2D6 8/4885CYP2B6 11/4885
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CYP2A6 172/4885CYP2D6 12/4885CYP2B6 19/4885

“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.