SCHEMBL19921072

SCHEMBL19921072

CN1CCC(n2cc(Nc3nc(Nc4ccccc4P(C)(C)=O)c4c(ccn4C)n3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.57
▸ IRAK4 Q9NWZ3 15/20 0.56
▸ EGFR P00533 1/20 0.47

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
SCHEMBL19921074 0.80 PTK2 (0.67) PTK2EGFR
SCHEMBL26098899 0.80 PTK2 (0.54) PTK2IRAK4EGFR
SCHEMBL19921193 0.79 PTK2 (0.42) PTK2IRAK4EGFR
SCHEMBL19921085 0.77 PTK2 (0.56) PTK2EGFR
SCHEMBL19929896 0.77 PTK2 (0.42) PTK2EGFR
SCHEMBL28577115 0.74 PTK2 (0.56) PTK2EGFR
SCHEMBL28564170 0.74 EGFR (0.57) PTK2EGFR
SCHEMBL19921120 0.74 ALK (0.70) PTK2EGFR
SCHEMBL28571162 0.74 EGFR (0.68) PTK2EGFR
SCHEMBL28569393 0.74 INSR (0.58) PTK2EGFR

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 PTK2 4325/4885IRAK4 2164/4885EGFR 3364/4885

“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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