SCHEMBL4119375

SCHEMBL4119375

COc1cccc(C#N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
AR P10275 7/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL22172091 0.82 TSHR (0.43) POLBGAAIMPDH2IMPDH1AR
SCHEMBL3000243 0.81 ALDH1A1 (0.55) IMPDH2IMPDH1ARALDH1A1KDM4E
SCHEMBL29518610 0.80 POLB (0.66) POLBGAAIMPDH2IMPDH1AR
SCHEMBL104280 0.80 POLB (0.66) POLBGAAIMPDH2IMPDH1AR
SCHEMBL5636872 0.80 TSHR (0.42) POLBGAAIMPDH2IMPDH1AR
SCHEMBL21736886 0.80 SSTR4 (0.41) POLBGAAIMPDH2IMPDH1SMN1; SMN2
SCHEMBL819145 0.79 TSHR (0.59) POLBGAAARSMN1; SMN2TSHR
SCHEMBL9404617 0.79 POLB (0.50) POLBGAAIMPDH2IMPDH1AR
SCHEMBL30934831 0.79 POLB (0.50) POLBGAAIMPDH2IMPDH1AR
SCHEMBL338999 0.79 POLB (0.50) POLBGAAIMPDH2IMPDH1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
WO-2023274383-A1 KRAS G12D INHIBITOR AND USE THEREOF 上海迪诺医药科技有限公司 2023-01-05 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
CN-106946685-B Preparation method of 2-methyl-3-methoxybenzoic acid and intermediate thereof 江苏联化科技有限公司 2020-06-23 CN disclosed
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2018-12-11 US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-5965766-A Process for synthesizing benzoic acids ROHM AND HAAS COMPANY (US) 1999-10-12 US disclosed
EP-0941982-A2 Process for synthesizing benzoic acids ROHM AND HAAS COMPANY (US) 1999-09-15 EP disclosed
US-5917079-A Process for synthesizing benzoic acids ROHM AND HAAS COMPANY (US) 1999-06-29 US disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
EP-0880503-A1 BALANOL ANALOGUES Phytera Symbion ApS (DK) 1998-12-02 EP disclosed
EP-0831083-A1 Process for synthesizing benzoic acids ROHM AND HAAS COMPANY (US) 1998-03-25 EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed
WO-1997029091-A1 BALANOL ANALOGUES PHYTERA SYMBION APS (DK) 1997-08-14 WO disclosed
US-4244966-A 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 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-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR POLB 4319/4885GAA 4361/4885IMPDH2 3245/4885

“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.