SCHEMBL16633327

SCHEMBL16633327

Cn1ccc2cc(B(O)c3ccc4c(ccn4C)c3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.55
CYP2A6 P11509 2/20 0.50
PIK3CB P42338 1/20 0.42
HSD11B1 P28845 1/20 0.41
MAOB P27338 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL29636281 0.88 PRKCI (0.55) PRKCICYP2A6PIK3CBHSD11B1MAOB
SCHEMBL310439 0.88 PRKCI (0.55) PRKCICYP2A6PIK3CBHSD11B1MAOB
SCHEMBL29874172 0.75 PRKCI (0.59) PRKCICYP2A6PIK3CBHSD11B1MAOB
SCHEMBL1400341 0.75 PRKCI (0.59) PRKCICYP2A6PIK3CBHSD11B1MAOB
SCHEMBL2693281 0.74 PRKCI (0.41) PRKCICYP2A6PIK3CBHSD11B1MAOB
SCHEMBL18683804 0.73 PRKCI (0.60) PRKCICYP2A6PIK3CBHSD11B1MAOB
SCHEMBL423394 0.72 PRKCI (0.61) PRKCICYP2A6PIK3CBHSD11B1CYP1A2
SCHEMBL29624271 0.72 PRKCI (0.61) PRKCICYP2A6PIK3CBHSD11B1CYP1A2
SCHEMBL12409642 0.72 PRKCI (0.55) PRKCICYP2A6PIK3CBHSD11B1MAOB
SCHEMBL593671 0.72 CYP2A6 (0.50) PRKCICYP2A6PIK3CBMAPT

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
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B PRKCI 4759/4885CYP2A6 199/4885PIK3CB 3788/4885

“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.