Sugi Predict

Sugi Predict / Compounds / SCHEMBL5642986

SCHEMBL5642986

SCHEMBL5642986

CCOC(=O)c1ccc(C=O)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRG1 Q8N1C3 2/20 0.40

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
SCHEMBL5642066 0.86 CYP1A2 (0.64) CYP1A2TSHRMAPTGABRA2GABRB2
SCHEMBL13197220 0.79 CYP1A2 (0.56) CYP1A2TSHRMAPTGABRA2GABRB2
SCHEMBL29524945 0.79 CYP1A2 (0.56) CYP1A2TSHRMAPTGABRA2GABRB2
SCHEMBL1645260 0.79 CYP1A2 (0.56) CYP1A2TSHRMAPTGABRA2GABRB2
SCHEMBL5169193 0.77 CYP1A2 (0.55) CYP1A2TSHRMAPTGABRA2GABRB2
SCHEMBL24880489 0.76 CYP1A2 (0.53) CYP1A2TSHRMAPTGABRA2GABRB2
SCHEMBL2473041 0.76 CYP1A2 (0.53) CYP1A2TSHRMAPTGABRA2GABRB2
SCHEMBL12228821 0.76 CYP1A2 (0.53) CYP1A2TSHRMAPTALDH1A1GAA
SCHEMBL3698207 0.75 CYP1A2 (0.72) CYP1A2TSHRMAPTGABRA2GABRB2
SCHEMBL1646668 0.75 CYP1A2 (0.51) CYP1A2TSHRMAPTGABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285556-B2 Thienopyrimidine-based inhibitors of the src family BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2007-10-23 — — US disclosed
US-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 — — US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 — — US disclosed
US-20040077663-A1 Thienopyrimidine-based inhibitors of the src family NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-22 — — US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 — — WO disclosed
US-6503914-B1 Thienopyrimidine-based inhibitors of the Src family BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-01-07 — — 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 (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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB CYP1A2 3960/4885TSHR 217/4885MAPT 3734/4885
US-20040077663-A1 Thienopyrimidine-based inhibitors of the src family SRC, LCK, FYN CYP1A2 3992/4885TSHR 2858/4885MAPT 915/4885

“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.