SCHEMBL4686743

SCHEMBL4686743

CCCNCCc1cccc2[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
IDO1 P14902 1/20 0.44
HTR2A P28223 2/20 0.43
SLC6A2 P23975 1/20 0.43
NOS1 P29475 4/20 0.42
AXL P30530 2/20 0.42
DRD2 P14416 2/20 0.42
MPO P05164 1/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
GLS O94925 1/20 0.40
METAP2 P50579 1/20 0.40
HTR1D P28221 1/20 0.39
TDO2 P48775 1/20 0.39
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL12166325 0.84 IDO1 (0.51) JAK2JAK1IDO1NOS1AXL
SCHEMBL29416223 0.84 IDO1 (0.51) JAK2JAK1IDO1NOS1AXL
SCHEMBL19509871 0.80 AXL (0.48) JAK2JAK1IDO1NOS1AXL
SCHEMBL21259457 0.79 IDO1 (0.46) IDO1NOS1AXLGLSMETAP2
SCHEMBL2633084 0.77 IDO1 (0.55) JAK2JAK1IDO1NOS1AXL
SCHEMBL13554518 0.74 NOS1 (0.50) JAK2JAK1IDO1HTR2ANOS1
SCHEMBL27663105 0.74 NOS1 (0.50) JAK2JAK1IDO1NOS1AXL
SCHEMBL5433716 0.73 HTR2A (0.45) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL11992461 0.73 IDO1 (0.50) JAK2JAK1IDO1NOS1AXL
Bromide SCHEMBL27530305 0.73 NOS1 (0.53) JAK2JAK1IDO1NOS1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP claimed
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals PFIZER INC 2005-12-01 US claimed
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP disclosed
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP disclosed
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals PFIZER INC 2005-12-01 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-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals DRD2, DRD3, DRD1 JAK2 3743/4885JAK1 2064/4885IDO1 53/4885

“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.