SCHEMBL18045205

SCHEMBL18045205

CN(C)C/C=C/C(=O)NCc1ccc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cn2)c(=O)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.41
▸ AXL P30530 10/20 0.41
▸ BTK Q06187 7/20 0.39
▸ EGFR P00533 4/20 0.38
▸ LCK P06239 3/20 0.37
▸ ITK Q08881 2/20 0.37
▸ FLT3 P36888 1/20 0.36

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
SCHEMBL18045206 1.00 MET (0.41) METAXLBTKEGFRLCK
SCHEMBL18044743 0.85 MET (0.46) METAXLEGFRFLT3
SCHEMBL18044739 0.85 MET (0.42) METAXLBTKEGFRFLT3
SCHEMBL18045189 0.84 MET (0.41) METAXLEGFRFLT3
SCHEMBL16709399 0.76 MET (0.51) METAXLEGFRFLT3
SCHEMBL18044747 0.76 MET (0.57) METAXLEGFRFLT3
SCHEMBL18044586 0.76 AXL (0.50) METAXLEGFRFLT3
SCHEMBL18044658 0.75 MET (0.44) METAXLEGFRFLT3
SCHEMBL18044585 0.74 MET (0.43) METAXLEGFRFLT3
SCHEMBL18044591 0.74 ALDH1A1 (0.56) METAXLFLT3

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
US-9586967-B2 Pyrrolo pyrimidine derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 — — US disclosed
US-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-09-15 — — 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-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE AXL, FLT3, TYRO3 MET 398/4885AXL 1/4885BTK 12/4885

“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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