SCHEMBL24871015

SCHEMBL24871015

CCc1cc(Nc2nccn3c(-c4ccc(Oc5ncccn5)c(F)c4F)cnc23)ccc1C(=O)NCC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.41
▸ PTK6 Q13882 4/20 0.41
▸ TTK P33981 6/20 0.36
▸ CHRM1 P11229 6/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ AURKB Q96GD4 3/20 0.35
▸ LCK P06239 2/20 0.35

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
Hydrochloric Acid SCHEMBL25173468 0.99 PTK2 (0.41) PTK2PTK6TTKCHRM1CHRM2
Formic Acid SCHEMBL30171526 0.97 PTK2 (0.40) PTK2PTK6TTKCHRM1CHRM2
SCHEMBL22123484 0.93 PTK2 (0.38) PTK2PTK6TTKCNR2AURKB
SCHEMBL30183114 0.93 PTK2 (0.38) PTK2PTK6TTKCNR2AURKB
Hydrochloric Acid SCHEMBL25170324 0.92 PTK2 (0.42) PTK2PTK6TTKCHRM1CHRM2
SCHEMBL22123264 0.92 PTK2 (0.46) PTK2PTK6TTKCHRM1CHRM2
SCHEMBL24112441 0.92 PTK2 (0.36) PTK2PTK6TTKCHRM1CHRM2
Formic Acid SCHEMBL30171801 0.91 PTK2 (0.36) PTK2PTK6TTKCNR2AURKB
SCHEMBL22124404 0.91 PTK6 (0.39) PTK2PTK6TTKAURKBLCK
Hydrochloric Acid SCHEMBL25170428 0.90 PTK6 (0.39) PTK2PTK6TTKAURKBLCK

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-20230012368-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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK2 4090/4885PTK6 2211/4885TTK 4482/4885

“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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