SCHEMBL23076118

SCHEMBL23076118

Bc1c(B)c(B)c(Oc2ccnc(C(N)=O)c2)c(B)c1B

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.42
▸ OPRK1 P41145 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ BRAF P15056 2/20 0.38
▸ P2RX3 P56373 4/20 0.37
▸ KDR P35968 2/20 0.37
▸ MET P08581 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 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
SCHEMBL1137134 0.78 RAF1 (0.42) RAF1OPRK1KCNH2BRAFP2RX3
SCHEMBL4155509 0.78 PARP10 (0.51) RAF1OPRK1KCNH2BRAFKDR
SCHEMBL177841 0.76 PARP10 (0.54) RAF1OPRK1KCNH2BRAFP2RX3
SCHEMBL4369342 0.76 PARP10 (0.54) RAF1BRAFP2RX3KDRCYP4F2
SCHEMBL11206449 0.76 OPRK1 (0.44) RAF1OPRK1KCNH2BRAFP2RX3
SCHEMBL6273015 0.75 RAF1 (0.50) RAF1OPRK1KCNH2BRAFP2RX3
SCHEMBL29757282 0.75 P2RX3 (0.53) RAF1P2RX3GRM5
SCHEMBL257959 0.75 RAF1 (0.50) RAF1BRAFP2RX3KDR
SCHEMBL30079970 0.75 GRM5 (0.59) GRM5
SCHEMBL23913769 0.75 P2RX3 (0.53) RAF1P2RX3GRM5

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-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 — — 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-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 RAF1 140/4885OPRK1 3631/4885KCNH2 4724/4885

“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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