SCHEMBL19422692

SCHEMBL19422692

O=C(O)c1ncncc1NCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 1/20 0.53
▸ KMT2A Q03164 1/20 0.46
▸ KDM4C Q9H3R0 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ KDM6B O15054 1/20 0.45
▸ KDM4A O75164 1/20 0.45
▸ KDM4D Q6B0I6 1/20 0.45
▸ RPS6KB1 P23443 4/20 0.45
▸ AKT1 P31749 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM5B Q9UGL1 1/20 0.44
▸ VNN1 O95497 3/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ ASPH Q12797 1/20 0.41
▸ RIOX2 Q8IUF8 1/20 0.41
▸ KDM8 Q8N371 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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 0.86 KMT2A (0.50) KMT2AKDM4CKDM4EKDM6BKDM4A
SCHEMBL19422718 0.85 KDM4C (0.62) KMT2AKDM4CKDM4EKDM6BKDM4A
SCHEMBL19422720 0.84 KDM4C (0.53) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL19422706 0.83 KDM4E (0.58) KDM4CKDM4ERPS6KB1VNN1PPARA
SCHEMBL20956878 0.80 RPS6KB1 (0.47) KMT2ARPS6KB1AKT1AURKAL3MBTL1
SCHEMBL19422708 0.78 VNN1 (0.52) KMT2AKDM4CKDM4EKDM6BKDM4A
SCHEMBL18070889 0.78 AGTR1 (0.56) P4HTMKMT2AKDM4ERPS6KB1ALDH1A1
SCHEMBL20956885 0.77 ASPH (0.46) KDM4CKDM4ERPS6KB1VNN1AURKA
SCHEMBL15818320 0.76 KDM4C (0.76) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL29582097 0.76 KDM4C (0.76) KDM4CKDM4EKDM6BKDM4AKDM4D

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 P4HTM 1501/4885KMT2A 3943/4885KDM4C 2757/4885
US-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY DPYD, TYMS, TYMP P4HTM 2094/4885KMT2A 2256/4885KDM4C 1220/4885

“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