SCHEMBL27127692

SCHEMBL27127692

Cc1cc(Cl)cc(-c2ncnn3cc(CN4C(=O)C5C(C4=O)C5(C)C)cc23)c1CN1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.33
▸ KIT P10721 3/20 0.32
▸ ACACB O00763 3/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ SPR P35270 2/20 0.31
▸ USP7 Q93009 3/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ RET P07949 4/20 0.31
▸ NSD2 O96028 1/20 0.31

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
SCHEMBL30781259 0.86 TBK1 (0.32) KITUSP7KCNH2RET
SCHEMBL30781441 0.86 USP7 (0.34) KITUSP7KCNH2
SCHEMBL27127505 0.85 USP7 (0.37) USP7KCNH2
SCHEMBL30781345 0.85 USP7 (0.37) USP7KCNH2
SCHEMBL27120927 0.84 USP7 (0.40) KITUSP7KCNH2RET
Hydrochloric Acid SCHEMBL27141994 0.84 USP7 (0.36) USP7KCNH2
Hydrochloric Acid SCHEMBL30781433 0.84 USP7 (0.36) USP7KCNH2
SCHEMBL27123023 0.83 USP7 (0.36) KITUSP7KCNH2
SCHEMBL27124040 0.83 USP7 (0.35) USP7KCNH2
SCHEMBL27125864 0.82 KIT (0.42) KIT

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-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 — — US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO 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-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 RORC 865/4885KIT 3180/4885ACACB 2050/4885

“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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