SCHEMBL30178037

SCHEMBL30178037

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6C[C@@H](O)CN6)CC5)c(C)c4)nccn23)c(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 16/20 0.44
▸ AURKB Q96GD4 4/20 0.39
▸ LCK P06239 5/20 0.37
▸ CCNT1 O60563 4/20 0.37
▸ CDK9 P50750 4/20 0.37

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
SCHEMBL22124222 1.00 PTK6 (0.44) PTK6AURKBLCKCCNT1CDK9
SCHEMBL22124561 0.95 PTK6 (0.44) PTK6AURKBLCKCCNT1CDK9
SCHEMBL22142981 0.95 PTK6 (0.44) PTK6AURKBLCKCCNT1CDK9
Hydrochloric Acid SCHEMBL30171884 0.94 PTK6 (0.44) PTK6AURKBLCKCCNT1CDK9
SCHEMBL22124089 0.94 PTK6 (0.43) PTK6AURKBLCKCCNT1CDK9
SCHEMBL30177866 0.94 PTK6 (0.43) PTK6AURKBLCKCCNT1CDK9
SCHEMBL30171923 0.94 PTK6 (0.43) PTK6AURKBLCKCCNT1CDK9
SCHEMBL22125166 0.94 PTK6 (0.43) PTK6AURKBLCKCCNT1CDK9
SCHEMBL22124393 0.94 PTK6 (0.43) PTK6AURKBLCKCCNT1CDK9
SCHEMBL30171641 0.94 PTK6 (0.43) PTK6AURKBLCKCCNT1CDK9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — 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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885AURKB 3265/4885LCK 2427/4885

“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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