SCHEMBL19220762

SCHEMBL19220762

CC(C)(C)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.59
▸ KMT2A Q03164 1/20 0.50
▸ MAOB P27338 8/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.40
▸ PYCR1 P32322 1/20 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
SCHEMBL648537 0.84 AGXT (0.39) IDO1
SCHEMBL1691492 0.83 APP (0.52) KMT2AALDH1A1
SCHEMBL791859 0.78 IDO1 (0.63) IDO1KMT2AMAOBTAAR1ALDH1A1
SCHEMBL8103605 0.78 IDO1 (0.52) IDO1KMT2AMAOBTAAR1ALDH1A1
SCHEMBL8935846 0.78 PPARA (0.50) IDO1KMT2AMAOB
SCHEMBL19638101 0.78 AGXT (0.41) IDO1
SCHEMBL492736 0.78 IDO1 (0.68) IDO1KMT2AMAOBTAAR1ALDH1A1
SCHEMBL22821604 0.78 RORC (0.38) IDO1KMT2AMAOB
SCHEMBL19240349 0.77 IDO1 (0.64) IDO1MAOBTAAR1
Boric Acid SCHEMBL28861430 0.77 IDO1 (0.47) IDO1KMT2AMAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325937-B2 Glycoside compound and preparation method therefor, composition, application, and intermediate SHANGHAI HUTCHISON PHARMACEUTICALS LIMITED (CN) 2022-05-10 — — US disclosed
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-12-28 — — US disclosed
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 — — US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 — — US disclosed
US-20210115082-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE SHANGHAI HUTCHISON PHARMACEUTICALS LIMITED (CN) 2021-04-22 — — US disclosed
US-20210061773-A1 COMPOUND AND USE THEREOF IN MEDICINE CHANGSHA HOOZ BIOSCIENCE AND TECHNOLOGY CO., LTD (CN) 2021-03-04 — — US disclosed
US-10774079-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-09-15 — — US disclosed
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-09-03 — — US disclosed
US-10421754-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2019-09-24 — — US disclosed
WO-2019141009-A1 COMPOUND AND USE THEREOF IN MEDICINE 长沙霍滋生物科技有限公司 2019-07-25 — — WO disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 — — US disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 — — 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-10774079-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 IDO1 2208/4885KMT2A 1659/4885MAOB 2680/4885
US-10421754-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 IDO1 2208/4885KMT2A 1659/4885MAOB 2680/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 IDO1 4070/4885KMT2A 3129/4885MAOB 4541/4885
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof SUMO2, SUMO1, SUMO3 IDO1 3681/4885KMT2A 2071/4885MAOB 4667/4885
US-20210061773-A1 COMPOUND AND USE THEREOF IN MEDICINE HDAC1, HDAC11, HDAC10 IDO1 2429/4885KMT2A 173/4885MAOB 3769/4885
US-11325937-B2 Glycoside compound and preparation method therefor, composition, application, and intermediate VEGFA, FLT4, FLT1 IDO1 3327/4885KMT2A 4004/4885MAOB 1432/4885
US-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 IDO1 2208/4885KMT2A 1659/4885MAOB 2680/4885
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF SUMO2, SUMO1, SUMO3 IDO1 3681/4885KMT2A 2071/4885MAOB 4667/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS IDO1 4758/4885KMT2A 2229/4885MAOB 4707/4885
US-20210115082-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE VEGFA, FLT4, FLT1 IDO1 3327/4885KMT2A 4004/4885MAOB 1432/4885

“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.

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