SCHEMBL20956885

SCHEMBL20956885

O=C(O)c1ncncc1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 2/20 0.46
▸ KDM8 Q8N371 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RIOX2 Q8IUF8 1/20 0.46
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ MPO P05164 1/20 0.44
▸ VNN1 O95497 3/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TACR1 P25103 3/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.38

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 0.77 P4HTM (0.53) ASPHKDM8KDM4ERIOX2AURKA
SCHEMBL19422720 0.76 KDM4C (0.53) KDM4EAURKARPS6KB1KDM4C
SCHEMBL19422707 0.75 KMT2A (0.50) ASPHKDM8KDM4ERIOX2RPS6KB1
SCHEMBL20956878 0.74 RPS6KB1 (0.47) AURKARPS6KB1
SCHEMBL19422718 0.74 KDM4C (0.62) ASPHKDM8KDM4ERIOX2RPS6KB1
SCHEMBL19422706 0.72 KDM4E (0.58) ASPHKDM8KDM4ERIOX2AURKA
SCHEMBL20956886 0.71 HDAC1 (0.47) AURKARPS6KB1MPOVNN1TDO2
SCHEMBL19422708 0.70 VNN1 (0.52) KDM4EAURKARPS6KB1VNN1KDM4C
SCHEMBL19422691 0.70 ATM (0.39) KDM4ERPS6KB1HDAC3HDAC1HDAC2
SCHEMBL2499437 0.68 RPS6KB1 (0.51) ASPHKDM8KDM4ERIOX2AURKA

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 3 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

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 ASPH 1948/4885KDM8 2477/4885KDM4E 1814/4885

“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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