SCHEMBL9065801

SCHEMBL9065801

COC(=O)c1c(C(=O)OC)c(-c2ccnc(F)c2)n(C)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.44
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA3 P34903 5/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRA5 P31644 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL15070377 0.95 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL15070204 0.86 PDE10A (0.39) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL9065796 0.83 MEN1 (0.50) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL15070199 0.78 MEN1 (0.46) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL15074528 0.76 MAPK1 (0.51) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL15070203 0.72 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL10462205 0.70 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL10460993 0.69 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL3519072 0.69 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL16065450 0.68 ROCK2 (0.46) ALDH1A1GAACYP3A4MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-5583148-A FUNGICIDE, BACTERICIDE AND ANTICARCINOGENIC AGENT RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-12-10 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B GABRA1 2837/4885GABRG2 2206/4885GABRB3 1157/4885

“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.