SCHEMBL19422706

SCHEMBL19422706

COc1ccc(CNc2cncnc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.58
▸ ASPH Q12797 2/20 0.58
▸ KDM8 Q8N371 2/20 0.58
▸ RIOX2 Q8IUF8 1/20 0.58
▸ VNN1 O95497 7/20 0.51
▸ KDM4C Q9H3R0 3/20 0.48
▸ RAB9A P51151 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ PPARA Q07869 1/20 0.45

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
SCHEMBL19422707 0.85 KMT2A (0.50) KDM4EASPHKDM8RIOX2KDM4C
SCHEMBL19422692 0.83 P4HTM (0.53) KDM4EASPHKDM8RIOX2VNN1
SCHEMBL20956866 0.82 KDM4C (0.67) KDM4EKDM4CHIF1A
SCHEMBL19422738 0.82 KDM4C (0.53) KDM4EASPHKDM8RIOX2KDM4C
SCHEMBL19422718 0.82 KDM4C (0.62) KDM4EASPHKDM8RIOX2KDM4C
SCHEMBL4851357 0.81 KDM4E (0.64) KDM4EASPHKDM8RIOX2VNN1
SCHEMBL4855920 0.78 KDM4C (0.76) KDM4EASPHKDM8RIOX2KDM4C
SCHEMBL20956878 0.77 RPS6KB1 (0.47) FFAR1AURKARPS6KB1
Acetic Acid SCHEMBL27618224 0.77 VNN1 (0.68) KDM4EASPHKDM8RIOX2VNN1
Oxalic Acid SCHEMBL27618068 0.77 VNN1 (0.64) KDM4EASPHKDM8RIOX2VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2019-05-09 — — US claimed
US-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2019-05-09 — — US disclosed
US-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2019-05-09 — — US disclosed
WO-2017171421-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY 한국과학기술연구원 2017-10-05 — — WO disclosed
US-20150322068-A1 SUBSTITUTED XANTHINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2015-11-12 — — 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 (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-20150322068-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 KDM4E 3501/4885ASPH 2665/4885KDM8 2841/4885
US-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY DPYD, TYMS, TYMP KDM4E 1814/4885ASPH 1948/4885KDM8 2477/4885

“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.

Send feedback