SCHEMBL19781558

SCHEMBL19781558

CC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)C)c(F)c4)cn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.46
MTOR P42345 3/20 0.46
KCNH2 Q12809 1/20 0.42
CLK1 P49759 2/20 0.42
DYRK1A Q13627 1/20 0.42
FLT3 P36888 5/20 0.41
CYP1A2 P05177 1/20 0.39
RIPK2 O43353 2/20 0.38
LRRK2 Q5S007 1/20 0.37
FYN P06241 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
SCN5A Q14524 1/20 0.36
FDPS P14324 1/20 0.35

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
SCHEMBL24460237 0.95 PIK3CA (0.48) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL29652169 0.91 PIK3CA (0.42) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL24460331 0.91 FYN (0.46) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL24460243 0.91 PIK3CA (0.42) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL24460314 0.91 PIK3CA (0.42) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL24460238 0.88 PIK3CA (0.43) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL19781810 0.87 KCNH2 (0.43) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL24460240 0.87 PIK3CA (0.44) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL26362224 0.86 S1PR1 (0.43) PIK3CAMTORKCNH2CLK1DYRK1A
SCHEMBL24460291 0.86 PIK3CA (0.46) PIK3CAMTORKCNH2CLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303569-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2023-09-28 US disclosed
US-20230303569-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2023-09-28 US disclosed
US-20230303569-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2023-09-28 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
WO-2022108849-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2022-05-27 WO 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 (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-20230303569-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS C3AR1, C9, C1R PIK3CA 1740/4885MTOR 679/4885KCNH2 649/4885
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S PIK3CA 4298/4885MTOR 3265/4885KCNH2 107/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S PIK3CA 4298/4885MTOR 3265/4885KCNH2 107/4885

“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.