Sugi Predict

Sugi Predict / Compounds / SCHEMBL4592838

SCHEMBL4592838

SCHEMBL4592838

N#Cc1c(F)ccc(F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TRPV4 Q9HBA0 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ TNF P01375 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL8119989 0.86 ALDH1A1 (0.39) ALDH1A1HPGDMEN1TP53CYP3A4
SCHEMBL7555568 0.86 ALDH1A1 (0.39) ALDH1A1HPGDMEN1TP53CYP3A4
SCHEMBL3338599 0.84 AR (0.43) ALDH1A1HPGDMEN1TP53CYP3A4
Hydrochloric Acid SCHEMBL9790157 0.84 ALDH1A1 (0.37) ALDH1A1HPGDMEN1TP53CYP3A4
SCHEMBL7869818 0.84 CYP11B2 (0.41) ALDH1A1HPGDMEN1TP53CYP3A4
SCHEMBL16555432 0.82 TRPV4 (0.43) ALDH1A1HPGDMEN1TP53CYP3A4
SCHEMBL4697050 0.82 ALDH1A1 (0.36) ALDH1A1HPGDMEN1TP53CYP3A4
SCHEMBL8112763 0.82 ALDH1A1 (0.36) ALDH1A1HPGDMEN1TP53CYP3A4
SCHEMBL2728668 0.82 EPAS1 (0.40) ALDH1A1HPGDMEN1TP53CYP3A4
SCHEMBL14661241 0.82 TDP1 (0.50) ALDH1A1HPGDMEN1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49948-E1 Aryl ethers and uses thereof PELOTON THERAPEUTICS, INC. (US) 2024-04-30 — — US disclosed
CN-110372550-B Aryl ethers and their use 佩洛通治疗公司 2021-08-24 — — CN disclosed
EP-3417851-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-07-22 — — EP disclosed
US-10689400-B2 Macrocycle kinase inhibitors Turning Point Therapeutics, Inc. (US) 2020-06-23 — — US disclosed
US-20200190031-A1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2020-06-18 — — US disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 — — US disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 — — US disclosed
US-10597366-B2 Aryl ethers and uses thereof PELOTON THERAPEUTICS, INC. (US) 2020-03-24 — — US disclosed
EP-3417852-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-02-19 — — EP disclosed
EP-3043784-B9 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2019-11-20 — — EP disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 — — US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 — — US disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 — — WO disclosed
US-7432256-B2 Substitued imidazo [1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 — — US disclosed
EP-1828194-B1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2008-05-28 — — EP disclosed
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 — — EP disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 — — WO disclosed
WO-2006063610-A1 HETEROARYL SUBSTITUTED DIAZABICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 — — WO disclosed
WO-2006064484-A1 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 — — WO disclosed
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-06-15 — — 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 (6 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-20100227870-A1 Novel Compounds GRM5, GRIK5, GRM1 ALDH1A1 3874/4885HPGD 3200/4885MEN1 4198/4885
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA3, GABRA5, GABRA1 ALDH1A1 619/4885HPGD 2322/4885MEN1 3118/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885HPGD 83/4885MEN1 542/4885
US-20200190031-A1 ARYL ETHERS AND USES THEREOF HIF1AN, EGLN2, VHL ALDH1A1 497/4885HPGD 184/4885MEN1 4342/4885
US-10597366-B2 Aryl ethers and uses thereof HIF1AN, EGLN2, VHL ALDH1A1 497/4885HPGD 184/4885MEN1 4342/4885
US-10689400-B2 Macrocycle kinase inhibitors DCK, MAP3K20, PLK1 ALDH1A1 4731/4885HPGD 3166/4885MEN1 1644/4885

“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.