SCHEMBL19422708

SCHEMBL19422708

O=C(O)c1ncncc1NCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.52
▸ RPS6KB1 P23443 3/20 0.45
▸ AURKA O14965 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ KDM4C Q9H3R0 4/20 0.43
▸ KDM6B O15054 1/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.40
▸ AKT1 P31749 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ FLT4 P35916 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
SCHEMBL19422692 0.78 P4HTM (0.53) VNN1RPS6KB1AURKAKDM4EKDM4C
SCHEMBL19422718 0.77 KDM4C (0.62) RPS6KB1KDM4EKDM4CKDM6BKDM4A
SCHEMBL15818650 0.77 KDM4C (0.69) KDM4EKDM4CKDM6BKDM4AKDM4D
SCHEMBL19422720 0.77 KDM4C (0.53) RPS6KB1AURKAKDM4EKDM4CKDM6B
SCHEMBL19422739 0.74 KDM4E (0.63) RPS6KB1AURKAKDM4EKDM4CKDM6B
SCHEMBL19422738 0.73 KDM4C (0.53) KDM4EKDM4CMEN1KMT2AALDH1A1
SCHEMBL19422707 0.73 KMT2A (0.50) RPS6KB1KDM4EKDM4CKDM6BKDM4A
SCHEMBL27873365 0.73 MEN1 (0.55) VNN1RPS6KB1AURKAKDM4EAKT1
SCHEMBL20956866 0.71 KDM4C (0.67) KDM4EKDM4CMEN1KMT2AALDH1A1
SCHEMBL20956878 0.70 RPS6KB1 (0.47) RPS6KB1AURKAAKT1MEN1KMT2A

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 VNN1 1528/4885RPS6KB1 4718/4885AURKA 4690/4885
US-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY DPYD, TYMS, TYMP VNN1 3811/4885RPS6KB1 2882/4885AURKA 121/4885

“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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