SCHEMBL1201016

SCHEMBL1201016

O=[N+]([O-])c1cc2c(Br)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1CBr

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.32
CTSB P07858 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL16620569 0.95 CYP19A1 (0.32) PIN1CTSBCYP19A1
SCHEMBL29584493 0.95 CYP19A1 (0.32) PIN1CTSBCYP19A1
SCHEMBL20916820 0.88 CTSB (0.35) PIN1CTSBCYP19A1
SCHEMBL30554375 0.88 CTSB (0.35) PIN1CTSBCYP19A1
SCHEMBL16620027 0.85 CTSB (0.33) PIN1CTSBCYP19A1
SCHEMBL1198605 0.84 MEN1 (0.36)
SCHEMBL4139741 0.84 VCAM1 (0.34) PIN1CTSB
SCHEMBL1198700 0.84 KMT2A (0.40)
SCHEMBL16620361 0.81 MEN1 (0.36)
SCHEMBL16619988 0.80 MEN1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
EP-2170893-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2010-04-07 EP disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 PIN1 1783/4885CTSB 4217/4885CYP19A1 439/4885

“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.