SCHEMBL457549

SCHEMBL457549

N#Cc1cccc2[nH]ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.53
AXL P30530 2/20 0.53
IDO1 P14902 3/20 0.50
MET P08581 1/20 0.50
METAP2 P50579 2/20 0.49
TRPA1 O75762 1/20 0.46
MAP2K1 Q02750 1/20 0.46
HTT P42858 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
ERBB2 P04626 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
BLK P51451 1/20 0.41
BMX P51813 1/20 0.41
JAK3 P52333 1/20 0.41
ITK Q08881 1/20 0.41
ERBB4 Q15303 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CDK2 P24941 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
SCHEMBL30751781 1.00 NOS1 (0.53) NOS1AXLIDO1METMETAP2
SCHEMBL2011601 0.81 NOS1 (0.53) NOS1AXLIDO1METMETAP2
SCHEMBL4061625 0.81 NOS1 (0.58) NOS1AXLIDO1METMETAP2
SCHEMBL30135663 0.78 IDO1 (0.51) NOS1AXLIDO1METMETAP2
SCHEMBL2430327 0.76 TRPA1 (0.42) NOS1AXLIDO1METMETAP2
SCHEMBL4055516 0.75 IDO1 (0.53) NOS1AXLIDO1METMETAP2
SCHEMBL19475693 0.74 METAP2 (0.38) NOS1AXLIDO1METMETAP2
SCHEMBL5407599 0.74 MET (0.44) NOS1AXLIDO1METMETAP2
SCHEMBL13745163 0.74 NOS1 (0.46) NOS1AXLIDO1METMETAP2
SCHEMBL2861366 0.74 TRPA1 (0.44) NOS1AXLIDO1METMETAP2

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
CN-110885328-B Sulfonamide compounds as sodium channel blockers and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 CN disclosed
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
CN-109311874-B Substituted bicyclic heterocyclic compounds 百时美施贵宝公司 2021-07-30 CN disclosed
US-10991895-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-04-27 US disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
CN-106458996-B Fused pyrimidines as inhibitors of the p97 complex 克里弗生物科学公司 2020-11-03 CN disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
CN-101663297-A Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (s1p) agonists GLAXO GROUP LTD 2010-03-03 CN disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
EP-1807077-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP disclosed
EP-1756054-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
WO-2006047277-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 US disclosed
WO-2005118539-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 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 (4 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-10991895-B2 Organic electroluminescent materials and devices ICMT, GFPT1, PCMT1 NOS1 1619/4885AXL 1706/4885IDO1 1945/4885
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A NOS1 891/4885AXL 3407/4885IDO1 36/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL NOS1 737/4885AXL 2923/4885IDO1 3948/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 NOS1 1803/4885AXL 1759/4885IDO1 865/4885

“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.