SCHEMBL19921176

SCHEMBL19921176

COC(=O)c1ccccc1Nc1nc(N)nc2ccn(-c3ccc(N4CCN(C)CC4)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ CDK4 P11802 3/20 0.41
▸ CCND1 P24385 3/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL19921232 0.91 KDM4E (0.49) FLT3BTKEGFRSLC2A1MAPT
SCHEMBL19921138 0.90 PLK1 (0.40) EGFRMAPTKDM4EKMT2AMAPK1
SCHEMBL20546926 0.86 PTK2 (0.41) FLT3BTKEGFRMAPTHTR6
SCHEMBL22730043 0.86 CDK4 (0.47) FLT3BTKEGFRSLC2A1MAPT
SCHEMBL20546939 0.84 CA1 (0.43) MAPTKDM4EKMT2AMAPK1CDK2
SCHEMBL19921123 0.83 EGFR (0.47) FLT3EGFRCDK4MAP3K7PTK2
SCHEMBL19921114 0.82 LMNA (0.46) BTKEGFRMAPK1CDK4CCND1
SCHEMBL19921142 0.82 ALK (0.54) FLT3BTKEGFRPTK2INSR
SCHEMBL20546956 0.82 PTK2 (0.51) FLT3BTKEGFRPTK2INSR
SCHEMBL19921175 0.82 JAK2 (0.51) EGFRCDK4PTK2INSRIGF1R

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 FLT3 205/4885BTK 528/4885EGFR 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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