Sugi Predict

Sugi Predict / Compounds / SCHEMBL4754150

SCHEMBL4754150

SCHEMBL4754150

COc1cccc(Br)c1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.58
▸ PRKDC P78527 1/20 0.50
▸ TLR2 O60603 1/20 0.47
▸ TLR1 Q15399 1/20 0.47
▸ TLR6 Q9Y2C9 1/20 0.47
▸ LY96 Q9Y6Y9 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41

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
Bromomethane SCHEMBL28079811 0.85 ERN1 (0.52) ERN1PRKDCTLR2TLR1TLR6
SCHEMBL170690 0.85 ERN1 (0.55) ERN1PRKDCTLR2TLR1TLR6
SCHEMBL27685686 0.81 ERN1 (0.52) ERN1PRKDCTLR2TLR1TLR6
SCHEMBL29532299 0.80 ERN1 (0.50) ERN1PRKDCTLR2TLR1TLR6
SCHEMBL20279251 0.80 ERN1 (0.42) ERN1PRKDCTLR2TLR1TLR6
SCHEMBL24317866 0.80 ERN1 (0.50) ERN1PRKDCTLR2TLR1TLR6
SCHEMBL15414532 0.80 ERN1 (0.50) ERN1PRKDCTLR2TLR1TLR6
SCHEMBL29014045 0.80 CA12 (0.41) ERN1PRKDCLY96ALDH1A1ABCG2
SCHEMBL25385591 0.79 LMNA (0.54) ERN1ALDH1A1MAPTLMNAHPGD
SCHEMBL2355553 0.79 ERN1 (0.53) ERN1PRKDCTLR2TLR1TLR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 — — US disclosed
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-29 — — US disclosed
CN-119816484-A Novel piperazine derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2025-04-11 — — CN disclosed
US-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 — — US disclosed
WO-2024138486-A1 TETRACYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
CN-114423757-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 — — CN disclosed
US-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. 2024-05-23 — — US disclosed
WO-2024091409-A1 TRICYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-05-02 — — WO disclosed
CN-114401935-B Ion channel antagonists/blockers and uses thereof 上海市东方医院（同济大学附属东方医院） 2024-04-05 — — CN disclosed
CN-115500357-B Photosensitive bactericide based on berberine derivative 深圳市儿童医院 2024-03-26 — — CN disclosed
CN-107635974-A 2- (phenoxy or phenylthio) pyrimidine derivatives as herbicides 杜邦公司 2018-01-26 — — CN disclosed
CN-105339347-B The ring dione compounds and its derivative of (alkynyl phenyl) substitution of activity of weeding 先正达有限公司 2018-01-19 — — CN disclosed
WO-2016196606-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2016-12-08 — — WO disclosed
CN-105339347-A Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LTD 2016-02-17 — — CN disclosed
CN-105263894-A Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LTD 2016-01-20 — — CN disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 — — WO disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 — — WO disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 — — US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 — — US disclosed
CN-1085980-C Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 2002-06-05 — — CN 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 (5 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-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS KRAS, NRAS, HRAS ERN1 1635/4885PRKDC 165/4885TLR2 4443/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D ERN1 4435/4885PRKDC 4824/4885TLR2 4383/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 ERN1 3094/4885PRKDC 3605/4885TLR2 701/4885
US-20070027150-A1 2-Amino-quinazolin-5-ones TK1, TK2, SLC1A5 ERN1 4767/4885PRKDC 1671/4885TLR2 1390/4885
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK3 ERN1 352/4885PRKDC 491/4885TLR2 61/4885

“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.