SCHEMBL3387516

SCHEMBL3387516

FC(F)(F)c1ccc(-c2ccc(CCl)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAOB P27338 2/20 0.46
KDM1A O60341 2/20 0.46
PPARA Q07869 2/20 0.42
P2RX7 Q99572 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 1/20 0.39
EPHB4 P54760 2/20 0.39
GCK P35557 1/20 0.39
GCKR Q14397 1/20 0.39
TEK Q02763 2/20 0.38
KDR P35968 1/20 0.38
MCHR1 Q99705 1/20 0.37
PPARD Q03181 1/20 0.37
HDAC1 Q13547 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP3 P42574 1/20 0.36

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
SCHEMBL30462004 1.00 KIF11 (0.51) KIF11CYP11B1CYP11B2MAOBKDM1A
Hydrochloric Acid SCHEMBL31453978 0.98 KIF11 (0.50) KIF11CYP11B1CYP11B2MAOBKDM1A
SCHEMBL1550000 0.90 CYP11B1 (0.49) KIF11CYP11B1CYP11B2MAOBKDM1A
Hydrochloric Acid SCHEMBL31375590 0.89 CYP11B1 (0.48) KIF11CYP11B1CYP11B2MAOBKDM1A
SCHEMBL30767444 0.87 KIF11 (0.40) KIF11CYP11B1CYP11B2MAOBKDM1A
SCHEMBL27344645 0.86 KIF11 (0.63) KIF11CYP11B1CYP11B2MAOBKDM1A
SCHEMBL14037163 0.85 KIF11 (0.52) KIF11CYP11B1CYP11B2MAOBKDM1A
SCHEMBL29690424 0.84 KIF11 (0.61) KIF11CYP11B1CYP11B2MAOBKDM1A
SCHEMBL28530523 0.84 KIF11 (0.61) KIF11CYP11B1CYP11B2MAOBKDM1A
SCHEMBL8239616 0.83 KIF11 (0.51) KIF11CYP11B1CYP11B2MAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741386-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-13 EP disclosed
EP-4568746-B1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-04-29 EP disclosed
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2025-09-18 US disclosed
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-07-24 US disclosed
EP-4568746-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
EP-4516779-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2025-03-05 EP disclosed
WO-2025007777-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-01-09 WO disclosed
WO-2024033389-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed
WO-2023208130-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2023-11-02 WO disclosed
CN-116496252-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-07-28 CN disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
CN-1649820-A Compounds that modulate PPAR activity and methods for preparing the same WARNER LAMBERT CO (US) 2005-08-03 CN disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 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 (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-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD KIF11 3576/4885CYP11B1 210/4885CYP11B2 317/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG KIF11 4399/4885CYP11B1 549/4885CYP11B2 801/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG KIF11 4399/4885CYP11B1 549/4885CYP11B2 801/4885
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES GRIN2C, CYP3A4, BICRA KIF11 2175/4885CYP11B1 72/4885CYP11B2 65/4885
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF USP1, UPP1, UFL1 KIF11 921/4885CYP11B1 2461/4885CYP11B2 3380/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG KIF11 4399/4885CYP11B1 549/4885CYP11B2 801/4885

“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.