Sugi Predict

Sugi Predict / Compounds / SCHEMBL1708520

SCHEMBL1708520

SCHEMBL1708520

COc1cc(N)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 7/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ KDM1A O60341 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31555963 1.00 NPC1 (0.45) NPC1ALDH1A1CYP3A4TDP1TSHR
Bromide SCHEMBL7008970 0.98 NPC1 (0.43) NPC1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL30661038 0.91 ALDH1A1 (0.41) NPC1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL13195018 0.91 ALDH1A1 (0.41) NPC1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL1766204 0.88 NPC1 (0.46) NPC1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL2310683 0.88 NPC1 (0.46) NPC1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL19385593 0.86 L3MBTL1 (0.52) NPC1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL1098907 0.82 TAAR1 (0.46) NPC1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL13254937 0.82 POLB (0.48) NPC1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL18481797 0.82 LMNA (0.45) ALDH1A1CYP3A4TDP1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843616-B 3-Cyano-substituted quinoline compound, and pharmaceutical composition and application thereof 中国药科大学 2025-05-27 — — CN disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 — — US disclosed
CN-117843616-A 3-cyano-substituted quinoline compound, and pharmaceutical composition and application thereof 中国药科大学 2024-04-09 — — CN disclosed
WO-2023244713-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2023-12-21 — — WO disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 — — EP disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 — — EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 — — US disclosed
EP-2440534-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2012-04-18 — — EP disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 — — WO disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 — — US disclosed
EP-2205317-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2010-07-14 — — EP disclosed
WO-2009044160-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2009-04-09 — — WO disclosed
US-5136868-A HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1992-08-11 — — US disclosed
EP-0161304-B1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1990-01-10 — — EP disclosed
EP-0161304-A4 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1986-04-15 — — EP disclosed
EP-0161304-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1985-11-21 — — EP disclosed
WO-1985001939-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1985-05-09 — — 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 (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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 NPC1 2194/4885ALDH1A1 1598/4885CYP3A4 18/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 NPC1 2639/4885ALDH1A1 1618/4885CYP3A4 15/4885
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HCRTR1, HCRTR2, RTN3 NPC1 184/4885ALDH1A1 4039/4885CYP3A4 1688/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 NPC1 2194/4885ALDH1A1 1598/4885CYP3A4 18/4885

“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.