SCHEMBL686379

SCHEMBL686379

Nc1c[c]cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
KIF11 P52732 3/20 0.38
NR2E1 Q9Y466 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PTPN5 P54829 1/20 0.31
IKBKB O14920 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTR3E A5X5Y0 2/20 0.31
HTR3B O95264 2/20 0.31
HTR3A P46098 2/20 0.31
HTR3D Q70Z44 2/20 0.31
HTR3C Q8WXA8 2/20 0.31
PKM P14618 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL102848 0.82 CES2 (0.40) TSHRMAPK1KIF11NOS3NOS2
SCHEMBL23174652 0.79 CES2 (0.39) TSHRMAPK1KIF11NOS3NOS2
SCHEMBL27886103 0.79 CES2 (0.39) TSHRMAPK1KIF11NOS3NOS2
SCHEMBL29121446 0.79 CES2 (0.39) TSHRMAPK1KIF11NOS3NOS2
SCHEMBL28642337 0.79 CES2 (0.39) TSHRMAPK1KIF11NOS3NOS2
SCHEMBL28493618 0.76 POLB (0.39) MAPK1POLBGAAALDH1A1PKM
SCHEMBL28585089 0.73 CES2 (0.34) TSHRALDH1A1HTR3EHTR3BHTR3A
SCHEMBL596022 0.73 RAPGEF4 (0.35) TSHRKIF11ALDH1A1MAPT
SCHEMBL147083 0.73 AHR (0.36) TSHRALDH1A1HPGDMAPTPLAU
Magnesium Chloride Anhydrous SCHEMBL29163555 0.73 CES2 (0.34) TSHRALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746411-B Substituted tricyclic compounds 印度鲁宾有限公司 2024-06-25 CN claimed
WO-2023178130-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-09-21 WO claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-07-04 US disclosed
CN-114746411-B Substituted tricyclic compounds 印度鲁宾有限公司 2024-06-25 CN disclosed
CN-117580836-A Pyrimidine ring structure derivative and application thereof 四川汇宇制药股份有限公司 2024-02-20 CN disclosed
WO-2023178130-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-09-21 WO disclosed
US-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-09-21 US disclosed
CN-116648250-A Novel quinazoline derivatives as SOS1 inhibitors and uses thereof 韩美药品株式会社 2023-08-25 CN disclosed
CN-116568689-A Polycyclic pyrimidine derivative as SOS1 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2023-08-08 CN disclosed
CN-114746411-A Substituted tricyclic compounds 印度鲁宾有限公司 2022-07-12 CN disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
US-20020111482-A1 Method for producing palladium complex compound CENTRAL GLASS COMPANY, LIMITED 2002-08-15 US disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 WO disclosed
US-6337335-B1 ENZYME INHIBITORS FOR AUTOIMMUNE DISEASES, TRANSPLANT REJECTION, GRANT VERSUS HOST DISEASE, HYPERPROLIFERATIVE DISORDERS AND DISEASES IN WHICH CELLS RECEIVE PRO-INFLAMMATORY SIGNALS. CELLTECH THERAPEUTICS LIMITED (GB) 2002-01-08 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed
EP-1008601-A2 Method for producing palladium complex compound Central Glass Company, Limited (JP) 2000-06-14 EP disclosed
US-6048866-A Substituted 2-anilinopryimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS, LIMITED (GB) 2000-04-11 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 (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-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS RAB1A, SOS1, IQGAP1 TSHR 4233/4885MAPK1 218/4885KIF11 3118/4885
US-20020111482-A1 Method for producing palladium complex compound PDCD1LG2, CD274, PDCD1 TSHR 377/4885MAPK1 1450/4885KIF11 828/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 TSHR 1900/4885MAPK1 200/4885KIF11 1679/4885
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 TSHR 1031/4885MAPK1 893/4885KIF11 3642/4885

“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.