Sugi Predict

Sugi Predict / Compounds / SCHEMBL2596742

SCHEMBL2596742

SCHEMBL2596742

OB(O)c1cc(Cl)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM1B Q8NB78 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTR2A P28223 2/20 0.30
▸ HTR2C P28335 2/20 0.30
▸ HTR2B P41595 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL25170326 0.91 KDM1A (0.35) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL30905967 0.86 KDM1A (0.35) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL13299606 0.82 CD44 (0.38) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL503015 0.82 — —
SCHEMBL3584961 0.81 ALDH1A1 (0.34) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL26367345 0.80 AHR (0.35) KDM1AKDM1B
SCHEMBL29419677 0.79 — —
SCHEMBL581257 0.79 — —
SCHEMBL28824845 0.79 — —
SCHEMBL6722994 0.77 CD44 (0.38) ALDH1A1MAPTLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514809-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2025-03-05 — — EP disclosed
CN-119365466-A Tricyclic pyridones and pyrimidinones 医睿世康药业研发公司 2025-01-24 — — CN disclosed
US-12162857-B2 Antiviral compounds ENANTA PHARMACEUTICALS, INC. (US) 2024-12-10 — — US disclosed
US-12162893-B2 Tricyclic pyridones and pyrimidones ERASCA, INC. (US) 2024-12-10 — — US disclosed
WO-2023242228-A1 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS UNIVERSITEIT LEIDEN (NL) 2023-12-21 — — WO disclosed
US-11845761-B2 Tricyclic pyridones and pyrimidones ERASCA, INC. (US) 2023-12-19 — — US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 — — US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 — — US disclosed
US-20150158815-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-06-11 — — US disclosed
CN-104619686-A Novel phenyl-pyridine/pyrazine amides for the treatment of cancer HOFFMANN LA ROCHE 2015-05-13 — — CN disclosed
WO-2015003166-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2015-01-08 — — WO disclosed
WO-2014209978-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — WO disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 — — EP disclosed
WO-2014029726-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-02-27 — — WO disclosed
US-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 — — US disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 — — US disclosed
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 — — WO 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 (8 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-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 ALK, ALKBH5, ALKBH3 ALDH1A1 134/4885TDP1 1648/4885MEN1 2598/4885
US-12162857-B2 Antiviral compounds ACE, ZC3HAV1, SARS1 ALDH1A1 2152/4885TDP1 2091/4885MEN1 1046/4885
US-11845761-B2 Tricyclic pyridones and pyrimidones KRAS, NRAS, HRAS ALDH1A1 2548/4885TDP1 1501/4885MEN1 1339/4885
US-20150158815-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER TP53, RB1, HCCS ALDH1A1 401/4885TDP1 3155/4885MEN1 2778/4885
US-12162893-B2 Tricyclic pyridones and pyrimidones DHFR, TYMS, TYMP ALDH1A1 564/4885TDP1 1385/4885MEN1 987/4885
US-20230365525-A1 ANTIVIRAL COMPOUNDS ACE, ZC3HAV1, SARS1 ALDH1A1 2152/4885TDP1 2091/4885MEN1 1046/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 ALDH1A1 2596/4885TDP1 231/4885MEN1 4071/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 ALDH1A1 26/4885TDP1 4067/4885MEN1 4369/4885

“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.