SCHEMBL12676642

SCHEMBL12676642

c1cc(-c2c[nH]cn2)c2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.43
▸ REN P00797 2/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ PTPN11 Q06124 1/20 0.36
▸ AXL P30530 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ NR3C1 P04150 6/20 0.35
▸ PGR P06401 2/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ AR P10275 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ EED O75530 1/20 0.32

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
SCHEMBL26259713 0.78 ALDH1A1 (0.43) BCHE
SCHEMBL31492457 0.77 AHR (0.60) AHRRENKEAP1PDPK1NR3C1
SCHEMBL26259557 0.75 IKBKE (0.32) —
SCHEMBL26259238 0.75 NISCH (0.41) BCHE
SCHEMBL15712028 0.74 PRKCI (0.50) AHRRENKEAP1AXLNUDT1
SCHEMBL31688976 0.73 AXL (0.47) AHRRENKEAP1PDPK1PTPN11
SCHEMBL12677012 0.72 CCR1 (0.50) BRD4
SCHEMBL15497975 0.71 AR (0.46) AHRRENKEAP1PDPK1PTPN11
SCHEMBL27614564 0.71 AHR (0.46) AHRRENKEAP1PDPK1PTPN11
SCHEMBL29599064 0.71 REN (0.43) AHRRENKEAP1PDPK1PTPN11

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 AHR 72/4885REN 2756/4885KEAP1 1438/4885

“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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