SCHEMBL7665646

SCHEMBL7665646

CNc1cncc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
SLC22A11 Q9NSA0 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KIF11 P52732 2/20 0.44
IDH2 P48735 1/20 0.42
AR P10275 1/20 0.39
MAPT P10636 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
XPO1 O14980 1/20 0.37
KMT2A Q03164 1/20 0.36
IDH1 O75874 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35

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
Hydrochloric Acid SCHEMBL28527606 0.98 CYP3A4 (0.44) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
Pyridine SCHEMBL8405759 0.89 KIF11 (0.46) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL22010700 0.81 ALDH1A1 (0.46) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL10690353 0.79 CYP3A4 (0.45) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL11900495 0.79 CYP3A4 (0.45) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL24782865 0.79 CYP3A4 (0.42) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL25867793 0.79 IDH1 (0.43) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL23132817 0.78 KIF11 (0.62) KIF11IDH1CYP11B1CYP11B2
SCHEMBL30875897 0.77 MAPT (0.68) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL10509816 0.77 MAPT (0.47) CYP3A4TAS2R14KDM4EALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
WO-2021141041-A1 THERAPEUTIC AGENT FOR TAUOPATHIES 大日本住友製薬株式会社 2021-07-15 WO disclosed
WO-2020017587-A1 PYRIDAZINONE DERIVATIVE 大日本住友製薬株式会社 2020-01-23 WO disclosed
CN-101868457-B (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2013-02-13 CN disclosed
CN-101868457-A (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2010-10-20 CN disclosed
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 CN disclosed
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP 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 (1 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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 CYP3A4 4734/4885CYP2C9 4840/4885SLC22A6 792/4885

“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.