SCHEMBL20547122

SCHEMBL20547122

COC(=O)c1ccccc1Oc1nc(Nc2ccc(N3CCN(O)CC3)cc2)nc2cc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.43
▸ EGFR P00533 3/20 0.42
▸ BTK Q06187 3/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MAP3K7 O43318 6/20 0.41
▸ MAP2K1 Q02750 4/20 0.41
▸ NUAK1 O60285 1/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 1/20 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
SCHEMBL19921170 0.81 EGFR (0.55) PTK2EGFR
SCHEMBL19929863 0.78 KMT2A (0.54) CYP2C9CYP2C19KMT2ACYP1A2SLC6A3
SCHEMBL19921118 0.76 ALK (0.62) PTK2EGFRBTKFLT3LCK
SCHEMBL19921145 0.75 DCLK1 (0.43) PTK2EGFRCDK1CDK4CCND1
SCHEMBL20546871 0.74 NPC1 (0.42) PTK2EGFRJAK3JAK2CDK4
SCHEMBL18194322 0.73 ALDH1A1 (0.48) CYP2C9CYP2C19KMT2ACYP1A2SLC6A3
SCHEMBL26506537 0.73 CDK4 (0.60) EGFRBTKJAK3JAK2CDK1
SCHEMBL26506563 0.72 ULK1 (0.53) BTKJAK3CDK1CDK4CCND1
SCHEMBL26506594 0.72 LCK (0.56) BTKJAK3CDK1CDK4CCND1
SCHEMBL26506540 0.71 IGF1R (0.56) PTK2EGFRMAP3K7MAP2K1MAPK1

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 2 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

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 4325/4885EGFR 3364/4885BTK 528/4885

“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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