SCHEMBL19921145

SCHEMBL19921145

COC(=O)c1ccccc1Oc1nc(Nc2ccc(N3CCC(O)CC3)cc2)nc2ccn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DCLK1 O15075 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ TNK2 Q07912 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MAP3K7 O43318 6/20 0.41
▸ MAP2K1 Q02750 5/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ SYK P43405 2/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ EGFR P00533 2/20 0.39

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
SCHEMBL19921150 0.86 PLK1 (0.46) DCLK1LRRK2STAT6MAPK8SYK
SCHEMBL19921139 0.80 EGFR (0.56) PTK2EGFR
SCHEMBL19921079 0.80 CA1 (0.46) CDK1CDK2
SCHEMBL19921185 0.80 PTK2 (0.59) LRRK2TNK2PLK1FLT3PTK2
SCHEMBL19921068 0.78 IRAK4 (0.48) STAT6SYKMAPK1PLK1IRAK4
SCHEMBL20547122 0.75 PTK2 (0.43) TNK2CDK1CDK4CCND1CDK2
SCHEMBL19921167 0.73 PTK2 (0.51) DCLK1LRRK2FLT3PTK2IRAK4
SCHEMBL22730041 0.73 IRAK4 (0.45) DCLK1LRRK2TNK2CDK4CCND1
SCHEMBL19921085 0.73 PTK2 (0.56) PTK2EGFR
SCHEMBL19867302 0.72 IRAK4 (0.59) PLK1FLT3IRAK4EGFR

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
EP-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 — — EP claimed
US-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF XIAMEN UNIVERSITY (CN) 2018-11-01 — — US claimed
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 — — EP claimed

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-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF TPMT, DHPS, TYMP DCLK1 2383/4885LRRK2 2861/4885TNK2 1977/4885

“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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