SCHEMBL59927

SCHEMBL59927

Nc1cc(C(F)(F)F)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 1.00
NOS2 P35228 4/20 1.00
DYRK1A Q13627 2/20 0.50
NOS1 P29475 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BACE1 P56817 1/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
CA2 P00918 1/20 0.43
CHKA P35790 1/20 0.43
ADRB1 P08588 1/20 0.43
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL29432593 1.00 NOS3 (1.00) NOS3NOS2DYRK1ANOS1KDM4E
Bromide SCHEMBL5756062 0.98 NOS3 (0.96) NOS3NOS2DYRK1ANOS1KDM4E
Hydrochloric Acid SCHEMBL31372470 0.98 NOS3 (0.96) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL9629714 0.83 NOS3 (0.69) NOS3NOS2DYRK1AKDM4EBACE1
SCHEMBL16637988 0.83 NOS3 (0.70) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL16671291 0.83 NOS3 (0.70) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL14637261 0.83 NOS3 (0.70) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL2640650 0.79 NOS3 (0.63) NOS3NOS2KDM4EMAPT
SCHEMBL22670291 0.78 NOS3 (0.63) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL29433371 0.78 NOS3 (0.63) NOS3NOS2DYRK1ANOS1KDM4E

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 1433 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119432148-A Perovskite ink, perovskite film and battery device 云南大学 2025-02-14 CN claimed
CN-114790168-B Preparation method of 2-amino-4-trifluoromethyl pyridine and 2-amino-4-trifluoromethyl pyridine 上海素馨化工科技有限公司 2024-02-09 CN claimed
CN-117165078-A Cyanate resin with low dielectric loss suitable for winding forming process, preparation method and application 中国科学院宁波材料技术与工程研究所 2023-12-05 CN claimed
US-20230014057-A1 TREATMENT OF SKIN DISORDERS TORQUR AG (CH) 2023-01-19 US claimed
CN-115385852-A Efficient synthesis method of 2-amino-4-trifluoromethylpyridine 湖南阿斯迪康药业有限公司 2022-11-25 CN claimed
CN-114790168-A Preparation method of 2-amino-4-trifluoromethylpyridine and 2-amino-4-trifluoromethylpyridine 上海素馨化工科技有限公司 2022-07-26 CN claimed
CN-113150229-B High-carbon-residue fluorine-containing pyridine type benzoxazine resin and preparation method thereof 中北大学 2022-07-05 CN claimed
CN-113150229-A High-carbon-residue fluorine-containing pyridine type benzoxazine resin and preparation method thereof 中北大学 2021-07-23 CN claimed
CN-112480018-A TRPV3 small-molecule allosteric inhibitor and preparation method thereof 中国药科大学 2021-03-12 CN claimed
EP-3383391-A1 TREATMENT OF CANCER WITH A PI3K INHIBITOR IN A PATIENT PRESELECTED FOR HAVING A PIK3CA MUTATION IN THE CTDNA Novartis AG (CH) 2018-10-10 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-0998946-A1 Non-porphyrin compound for use as a diagnosticum and/or pharmaceutical K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-05-10 EP claimed
WO-2000009169-A1 NON-PORPHYRIN COMPOUND FOR USE AS A DIAGNOSTICUM AND/OR PHARMACEUTICAL K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-02-24 WO claimed
EP-0228846-B1 AMINO-TRIFLUOROMETHYLPYRIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-04-22 EP claimed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US claimed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NOS3 2847/4885NOS2 2686/4885DYRK1A 2790/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 NOS3 3442/4885NOS2 3357/4885DYRK1A 2135/4885
US-20230014057-A1 TREATMENT OF SKIN DISORDERS RXFP3, CCR3, CBR3 NOS3 340/4885NOS2 1357/4885DYRK1A 957/4885

“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.