SCHEMBL177471

SCHEMBL177471

COc1ccc(OBOc2ccc(OC)c(Cl)c2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 3/20 0.39
GAA P10253 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TTR P02766 1/20 0.39
ACHE P22303 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
SCHEMBL14551877 0.85 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL15521889 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL1277797 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL29587997 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL197088 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL23115 0.81 CA2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL6002589 0.81 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL3409377 0.79 MAPT (0.46) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4012282 0.79 CSNK2A1 (0.51) MEN1KMT2AMAPK1
Nitrogen SCHEMBL11366394 0.79 CA12 (0.58) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
US-9670189-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-06 US disclosed
EP-2951173-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-05-17 EP disclosed
US-9505724-B2 4-amino substituted condensed pyrimidine compounds as PDE4 inhibitors Grünenthal GmbH (DE) 2016-11-29 US disclosed
US-20150353507-A1 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2015-12-10 US disclosed
EP-2951161-A1 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2015-12-09 EP disclosed
EP-2951173-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-09 EP disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-03 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 WO 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 (9 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO CA12 4843/4885CA1 4879/4885CA2 4786/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA12 1801/4885CA1 908/4885CA2 1331/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CA12 4883/4885CA1 4852/4885CA2 4775/4885
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 CA12 3904/4885CA1 4370/4885CA2 2716/4885
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS TYMP, PDE4A, DPYD CA12 3279/4885CA1 3448/4885CA2 1716/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 CA12 1705/4885CA1 821/4885CA2 1188/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CA12 4883/4885CA1 4852/4885CA2 4775/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR CA12 3779/4885CA1 4228/4885CA2 2521/4885
US-20150353507-A1 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 CA12 3391/4885CA1 3338/4885CA2 1202/4885

“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.