Sugi Predict

Sugi Predict / Compounds / SCHEMBL334160

SCHEMBL334160

SCHEMBL334160

Cc1cc(Cl)cc(CBr)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.35
▸ RAPGEF4 Q8WZA2 2/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ NR3C1 P04150 2/20 0.33
▸ NR3C2 P08235 2/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PGK1 P00558 1/20 0.31
▸ PGK2 P07205 1/20 0.31
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL31540803 0.83 ADORA1 (0.33) —
SCHEMBL27502281 0.82 RAPGEF4 (0.35) NR1D1RAPGEF4IDO1NR3C1NR3C2
SCHEMBL1500773 0.82 TSHR (0.50) IDO1TSHR
SCHEMBL2261460 0.82 PGK1 (0.42) IDO1TSHRPGK1PGK2
SCHEMBL625710 0.82 TSHR (0.41) IDO1TSHR
SCHEMBL502038 0.82 ALDH1A1 (0.40) TSHRPGK1PGK2
SCHEMBL4160774 0.79 ALDH1A1 (0.38) TSHRPGK1PGK2
SCHEMBL3786702 0.78 NR3C1 (0.36) NR1D1RAPGEF4IDO1NR3C1NR3C2
SCHEMBL14114133 0.78 IDO1 (0.34) NR1D1RAPGEF4IDO1NR3C1NR3C2
SCHEMBL5722747 0.77 TSHR (0.52) NR1D1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 — — US disclosed
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 — — US disclosed
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 — — US disclosed
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2021-07-22 — — US disclosed
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2021-07-22 — — US disclosed
WO-2021107680-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
US-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2021-05-04 — — US disclosed
US-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2021-05-04 — — US disclosed
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2020-09-10 — — US disclosed
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2020-09-10 — — US disclosed
US-5494926-A ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE MERCK SHARP & DOHME LTD. (GB) 1996-02-27 — — US disclosed
US-5444074-A Treating diseases associated with excess of substance P MERCK SHARP & DOHME LIMITED (GB) 1995-08-22 — — US disclosed
EP-0636130-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LTD. (GB) 1995-02-01 — — EP disclosed
WO-1993024465-A1 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-12-09 — — WO disclosed
WO-1993021181-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1993-10-28 — — WO disclosed
US-4950673-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1990-08-21 — — US disclosed
US-4816469-A 5-Amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1989-03-28 — — US disclosed
US-4721791-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1988-01-26 — — US disclosed
US-4585866-A Treatment of migraine with substituted tropyl benzoate derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1986-04-29 — — US disclosed
US-4563465-A ANTISEROTONINE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1986-01-07 — — 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 (4 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-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 NR1D1 1366/4885RAPGEF4 375/4885IDO1 911/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 NR1D1 1948/4885RAPGEF4 411/4885IDO1 633/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 NR1D1 1948/4885RAPGEF4 411/4885IDO1 633/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 NR1D1 1366/4885RAPGEF4 375/4885IDO1 911/4885

“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.