Sugi Predict

Sugi Predict / Compounds / SCHEMBL4467397

SCHEMBL4467397

SCHEMBL4467397

Brc1cccc2c1OCCCN2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ EGFR P00533 1/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP11 Q9NR21 1/20 0.31

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
SCHEMBL4466764 0.89 EGFR (0.40) ADRA2AADRA2BADRA2CADRA1AEGFR
SCHEMBL29628501 0.89 EGFR (0.40) ADRA2AADRA2BADRA2CADRA1AEGFR
SCHEMBL19746612 0.79 BRD4 (0.36) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL2599670 0.79 ADORA2A (0.37) ADRA2AEGFRHTR1ADRD2
SCHEMBL19744425 0.78 LMNA (0.36) ADRA2AADRA1AEGFR
SCHEMBL19705331 0.75 TAAR1 (0.35) ADRA2AADRA2BADRA2CHTR1AHTR2B
SCHEMBL24815114 0.74 — —
SCHEMBL1548498 0.73 ALOX5 (0.38) HTR1ADRD2
SCHEMBL20569067 0.70 RET (0.34) —
SCHEMBL38654029 0.69 ITGB2 (0.41) ADRA2AADRA2BADRA2CADRA1A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199596-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-06-20 — — US disclosed
US-11999733-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-06-04 — — US disclosed
EP-4359413-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 — — EP disclosed
EP-4359411-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 — — EP disclosed
US-11932634-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-03-19 — — US disclosed
US-11926628-B2 Diacylglyercol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-03-12 — — US disclosed
CN-117480155-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-30 — — CN disclosed
CN-117396478-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-12 — — CN disclosed
CN-117377671-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-09 — — CN disclosed
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-06-22 — — US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 — — US disclosed
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 — — US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 — — US disclosed
US-20050130962-A1 Benzoxazine derivatives and uses thereof BERGER JACOB (US) 2005-06-16 — — US disclosed
US-6867204-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-03-15 — — US disclosed
US-20030232825-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-18 — — 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 (10 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-20090325950-A1 Benzoxazine derivatives and uses thereof F12, CYP4X1, CYP3A5 ADRA2A 1001/4885ADRA2B 725/4885ADRA2C 790/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 ADRA2A 1101/4885ADRA2B 849/4885ADRA2C 922/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH ADRA2A 392/4885ADRA2B 498/4885ADRA2C 288/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 ADRA2A 1001/4885ADRA2B 725/4885ADRA2C 790/4885
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 ADRA2A 2114/4885ADRA2B 1925/4885ADRA2C 1626/4885
US-11932634-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK ADRA2A 3117/4885ADRA2B 2677/4885ADRA2C 3182/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 ADRA2A 103/4885ADRA2B 88/4885ADRA2C 76/4885
US-20240199596-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ADRA2A 3117/4885ADRA2B 2677/4885ADRA2C 3182/4885
US-11926628-B2 Diacylglyercol kinase modulating compounds DGKG, DGKB, DGKK ADRA2A 3241/4885ADRA2B 2859/4885ADRA2C 2609/4885
US-11999733-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK ADRA2A 3117/4885ADRA2B 2677/4885ADRA2C 3182/4885

“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.