SCHEMBL14255136

SCHEMBL14255136

Cc1cn(-c2ccnc3ccccc23)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.44
ADRB2 P07550 1/20 0.44
AR P10275 1/20 0.43
SLC6A2 P23975 1/20 0.40
GRM4 Q14833 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KCNH2 Q12809 2/20 0.37
RIPK2 O43353 1/20 0.37
MAPK1 P28482 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36

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
SCHEMBL14268044 0.83 NCF1 (0.45) NCF1ADRB2ARGRM4PTGDR2
SCHEMBL14259401 0.81 NCF1 (0.41) NCF1ADRB2ARGRM4PTGDR2
SCHEMBL4244849 0.77 RORC (0.43) NCF1ADRB2ARPTGDR2NPC1
SCHEMBL14259404 0.76 SLC6A2 (0.48) SLC6A2GRM4
SCHEMBL4239994 0.76 NR4A2 (0.60) MAPT
SCHEMBL28419807 0.75 SLC6A2 (0.45) SLC6A2NPC1MAPT
Hydrochloric Acid SCHEMBL4242731 0.75 ADRB2 (0.39) NCF1ADRB2ARPTGDR2NPC1
SCHEMBL8170195 0.74 ATP4A (0.48) SLC6A2MAPT
SCHEMBL26998342 0.74 NCF1 (0.46) NCF1ADRB2ARGRM4PTGDR2
SCHEMBL6344740 0.74 PTGDR2 (0.48) PTGDR2

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-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free FUJIFILM FINECHEMICALS CO., LTD (JP) 2008-03-13 US disclosed
US-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free FUJIFILM FINECHEMICALS CO., LTD (JP) 2008-03-13 US disclosed
EP-1897875-A1 Process for producing 1-pyridin-4-YL-indoles Fujifilm Finechemicals Co. Ltd. (JP) 2008-03-12 EP 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-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free IDO1, IDO2, TDO2 NCF1 3563/4885ADRB2 92/4885AR 3566/4885

“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.