SCHEMBL5728015

SCHEMBL5728015

COC(=O)c1ccc2o[c]nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
FGFR1 P11362 1/20 0.44
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
CREBBP Q92793 1/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ATM Q13315 2/20 0.41

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
SCHEMBL7285481 0.88 HTT (0.47) KDM4ECA1CA2CA12CA7
SCHEMBL11781256 0.84 CA12 (0.49) KDM4ECA1CA2CA12CA7
SCHEMBL29431267 0.73 CTNNB1 (0.55) KDM4ECA1CA2CA12CA7
SCHEMBL6761565 0.73 CTNNB1 (0.55) KDM4ECA1CA2CA12CA7
SCHEMBL940594 0.73 ALDH1A1 (0.44) KDM4ECA1CA2CA12CA7
SCHEMBL9181228 0.72 TAS1R3 (0.58) KDM4EALOX15HTTMAPTSMN1; SMN2
SCHEMBL5983869 0.71 KDM4E (0.50) KDM4ECA1CA2CA12CA7
SCHEMBL29364254 0.71 MAPT (0.53) KDM4ECA1CA2CA12CA7
SCHEMBL20952174 0.71 MAPT (0.56) KDM4ECA1CA2CA12CA7
SCHEMBL29364250 0.71 MAPT (0.53) KDM4ECA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270850-A1 Processes for preparation of pyrimidine derivatives and intermediates AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1695967-A1 PROCESSES FOR PRODUCTION OF PYRIMIDINE DERIVATIVES AND INTERMEDIATES Ajinomoto Co., Inc. (JP) 2006-08-30 EP disclosed
US-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof AJINOMOTO CO., INC. (JP) 2005-08-11 US disclosed
EP-1529778-A1 Production method of pyrimidine derivative, intermediate therefor Ajinomoto Co., Inc. (JP) 2005-05-11 EP disclosed
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
CN-1037519-A HETEROCYCLIC KETONES ICI AMERICA INC (US) 1989-11-29 CN disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP 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 (2 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-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof DPYD, WEE1, DCXR KDM4E 1335/4885CA1 3476/4885CA2 3977/4885
US-20060270850-A1 Processes for preparation of pyrimidine derivatives and intermediates PDXK, RNASEL, DPYD KDM4E 859/4885CA1 4177/4885CA2 4203/4885

“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.