SCHEMBL19422720

SCHEMBL19422720

O=C(O)c1ncncc1NCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 5/20 0.53
▸ KDM5A P29375 3/20 0.53
▸ KDM5B Q9UGL1 2/20 0.53
▸ RPS6KB1 P23443 8/20 0.48
▸ AKT1 P31749 3/20 0.48
▸ CDC7 O00311 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ AURKA O14965 3/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ KDM6B O15054 1/20 0.44
▸ KDM4A O75164 1/20 0.44

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
SCHEMBL19422692 0.84 P4HTM (0.53) KDM4CKDM5BRPS6KB1AKT1AURKA
SCHEMBL20956878 0.79 RPS6KB1 (0.47) RPS6KB1AKT1CLK4AURKAFFAR1
SCHEMBL15818434 0.79 KDM4C (0.73) KDM4CKDM5AKDM5BCDC7ROCK2
SCHEMBL19422718 0.78 KDM4C (0.62) KDM4CKDM5BRPS6KB1AKT1CDC7
SCHEMBL19422708 0.77 VNN1 (0.52) KDM4CRPS6KB1AKT1CDC7MAP4K4
SCHEMBL19422707 0.76 KMT2A (0.50) KDM4CKDM5BRPS6KB1AKT1FFAR1
SCHEMBL20956885 0.76 ASPH (0.46) KDM4CRPS6KB1AURKAKDM4E
SCHEMBL19422691 0.74 ATM (0.39) KDM4CKDM5AKDM5BRPS6KB1AKT1
SCHEMBL19422706 0.73 KDM4E (0.58) KDM4CRPS6KB1AURKAFFAR1KDM4E
SCHEMBL19422739 0.72 KDM4E (0.63) KDM4CRPS6KB1AURKAAURKBKDM4E

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY DPYD, TYMS, TYMP KDM4C 1220/4885KDM5A 1910/4885KDM5B 1782/4885

“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.

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