SCHEMBL19781597

SCHEMBL19781597

c1cc2cc(-c3ccc4ncn(-c5ccc6[nH]ccc6c5)c4c3)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.63
GABRD O14764 2/20 0.63
GABRA1 P14867 2/20 0.63
GABRB1 P18505 2/20 0.63
GABRG2 P18507 2/20 0.63
GABRB3 P28472 2/20 0.63
GABRA5 P31644 2/20 0.63
GABRA3 P34903 2/20 0.63
GABRA2 P47869 2/20 0.63
GABRB2 P47870 2/20 0.63
GABRA4 P48169 2/20 0.63
GABRE P78334 2/20 0.63
GABRA6 Q16445 2/20 0.63
GABRG1 Q8N1C3 2/20 0.63
GABRG3 Q99928 2/20 0.63
GABRQ Q9UN88 2/20 0.63
NPC1 O15118 1/20 0.45
PRKCI P41743 5/20 0.45
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL21449917 0.87 GSK3B (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19781596 0.86 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19781510 0.85 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19781515 0.85 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29636284 0.85 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19781509 0.84 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23000896 0.83 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7375618 0.78 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7378264 0.77 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21436078 0.77 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 US disclosed
WO-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 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 (2 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-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S GABRP 4655/4885GABRD 3616/4885GABRA1 4388/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S GABRP 4655/4885GABRD 3616/4885GABRA1 4388/4885

“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.