SCHEMBL12676643

SCHEMBL12676643

c1nc(-c2ccc3cc[nH]c3c2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CHRNA7 P36544 4/20 0.43
KCNH2 Q12809 3/20 0.43
AHR P35869 3/20 0.43
CMA1 P23946 1/20 0.43
TYR P14679 1/20 0.43
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3CD O00329 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
PIK3CB P42338 1/20 0.42
EPHB4 P54760 1/20 0.42
PRKDC P78527 1/20 0.42
BRAF P15056 1/20 0.42
DYRK1B Q9Y463 1/20 0.42

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
SCHEMBL12676739 0.86 NPC1 (0.51) BRD4CHRNA7AHRDYRK1BCYP2A6
SCHEMBL12647726 0.81 CYP11B1 (0.39) MEN1KMT2A
SCHEMBL26259879 0.80 CYP11B1 (0.38) MEN1KMT2A
SCHEMBL20054776 0.77 ESR1 (0.36) ABL1MEN1KMT2A
SCHEMBL4526053 0.75 CYP11B1 (0.50) MEN1KMT2A
SCHEMBL2458580 0.73 AHR (0.47) BRD4CHRNA7KCNH2AHRCMA1
SCHEMBL20054187 0.72 AKT1 (0.30)
SCHEMBL12647439 0.72 CYP11B1 (0.33) MEN1KMT2A
SCHEMBL17948012 0.72 CYP11B1 (0.42) AHRABL1MEN1KMT2ACYP2A6
SCHEMBL30574690 0.72 GHSR (0.48) BRD4CHRNA7AHRCMA1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 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-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT BRD4 807/4885CHRNA7 3914/4885KCNH2 3925/4885

“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.