SCHEMBL10175176

SCHEMBL10175176

CCCc1ccncc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.45
CYP2E1 P05181 5/20 0.45
CYP2A6 P11509 5/20 0.45
CYP2B6 P20813 5/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C8 P10632 3/20 0.45
HMGCR P04035 1/20 0.43
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAOA P21397 2/20 0.39
AOC1 P19801 1/20 0.39
AOC3 Q16853 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL26272362 0.87 ALOX5 (0.49) PTGDR2
SCHEMBL19286110 0.86 ALOX5 (0.47) PTGDR2
SCHEMBL10175184 0.84 CA12 (0.46) CYP2C19CYP2E1CYP2A6CYP2B6CYP2C9
SCHEMBL20395635 0.83 CHRNB4 (0.39) CYP2C19CYP2E1CYP2A6CYP2B6CYP2C9
SCHEMBL459644 0.83 MEN1 (0.42) CYP2C19CYP2E1CYP2A6CYP2B6CYP2C9
SCHEMBL24435133 0.80 CA12 (0.37) CYP2C19CYP2E1CYP2A6CYP2B6CYP2C9
SCHEMBL31561722 0.80 MEN1 (0.40) CYP2C19CYP2E1CYP2A6CYP2B6CYP2C9
SCHEMBL27704107 0.79 CYP2E1 (0.41) CYP2C19CYP2E1CYP2A6CYP2B6CYP2C9
SCHEMBL11483961 0.79 HRH1 (0.44) CYP2C19CYP2E1CYP2A6CYP2B6CYP2C9
SCHEMBL8241089 0.79 MEN1 (0.36) CYP2C19CYP2E1CYP2A6CYP2B6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2019-03-05 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 CYP2C19 215/4885CYP2E1 109/4885CYP2A6 141/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 CYP2C19 286/4885CYP2E1 103/4885CYP2A6 153/4885
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CYP2C19 47/4885CYP2E1 114/4885CYP2A6 172/4885
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR CYP2C19 22/4885CYP2E1 73/4885CYP2A6 69/4885

“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.