SCHEMBL13100683

SCHEMBL13100683

Cc1cc2c(cn1)c1ccccc1n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.57
KIF11 P52732 1/20 0.47
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL3337353 0.86 GPR3 (0.57) GPR3KIF11GABRPGABRDGABRA1
SCHEMBL5070438 0.81 GPR3 (0.55) GPR3KIF11GABRPGABRDGABRA1
SCHEMBL27098963 0.79 HSD17B10 (0.37) GPR3KIF11KDM4EALDH1A1HPGD
SCHEMBL19271289 0.78 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20751994 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL16621620 0.78 ALKBH5 (0.41) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL23371952 0.78 GPR3 (0.52) GPR3KIF11GABRPGABRDGABRA1
SCHEMBL22906722 0.77 NPC1 (0.44) MAPTNPC1RAB9AATMPOLB
SCHEMBL3423941 0.76 GPR3 (0.80) GPR3KIF11KDM4EALDH1A1HPGD
SCHEMBL29461528 0.76 GPR3 (1.00) GPR3KIF11KDM4EALDH1A1HPGD

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
US-10208026-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-02-19 US disclosed
US-20150266863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-09-24 US disclosed
US-20150266863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-09-24 US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 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 (3 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-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT H1-10, MAVS, HNRNPH3 GPR3 3859/4885KIF11 3687/4885GABRP 3486/4885
US-10208026-B2 Organic electroluminescent materials and devices ZYX, LBR, LOXL1 GPR3 1739/4885KIF11 2333/4885GABRP 3545/4885
US-20150266863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ZYX, LBR, LOXL1 GPR3 1739/4885KIF11 2333/4885GABRP 3545/4885

“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.