SCHEMBL9607578

SCHEMBL9607578

Cc1cccc(N)c1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
CYP3A4 P08684 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 4/20 0.46
PIK3CA P42336 1/20 0.46
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
KEAP1 Q14145 1/20 0.36
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
NSD2 O96028 2/20 0.35
DPP4 P27487 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 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
SCHEMBL9253214 0.85 CYP3A4 (0.48) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL6338910 0.82 CD44 (0.48) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL1772150 0.82 CD44 (0.48) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL8387574 0.82 GABRA1 (0.48) CD44CYP3A4TDP1TSHRGABRA1
SCHEMBL2687017 0.82 GABRA1 (0.48) CD44CYP3A4TDP1TSHRGABRA1
SCHEMBL10338299 0.79 CD44 (0.50) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL2056782 0.76 CA2 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL8601659 0.76 CD44 (0.42) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL931847 0.74 TSHR (0.48) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL279180 0.74 CYP3A4 (0.39) CD44CYP3A4TDP1TSHRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-11066434-B2 Metal complexes comprising aniline type ligands UMICORE AG & CO. KG 2021-07-20 US disclosed
US-20200239504-A1 METAL COMPLEXES COMPRISING ANILINE TYPE LIGANDS UMICORE AG & CO. KG (DE) 2020-07-30 US disclosed
CN-110139889-A COMPOSITIONS AND ARTICLES MADE FROM BRANCHED POLYETHERIMIDES 沙特基础工业全球技术有限公司 2019-08-16 CN disclosed
CN-110121519-A Polyimide oligomers, composition, manufacturing method and application thereof 沙特基础工业全球技术有限公司 2019-08-13 CN disclosed
CN-110121496-A The synthesis of reactive intermediate and application thereof for polyetherimide 沙特基础工业全球技术有限公司 2019-08-13 CN disclosed
CN-110088169-A Method for preparing polyetherimide 沙特基础工业全球技术有限公司 2019-08-02 CN disclosed
CN-110050014-A Method of making polyetherimides and polyetherimides produced therefrom 沙特基础工业全球技术有限公司 2019-07-23 CN disclosed
CN-109952338-A Poly- (acid imide) oligomer of telechelic, its Manufacturing approach and use 沙特基础工业全球技术有限公司 2019-06-28 CN disclosed
CN-109890876-A Method for producing polymer particles and polymer particles produced thereby 沙特基础工业全球技术有限公司 2019-06-14 CN disclosed
CN-109563267-A For manufacturing method, thus poly- (acid imide) prepolymer powder for preparing and the varnish of poly- (acid imide) prepolymer powder and varnish and poly- (acid imide) prepared therefrom 沙特基础工业全球技术有限公司 2019-04-02 CN disclosed
CN-106133056-B Flame-retardant polyester composition and product 沙特基础工业全球技术有限公司 2019-04-02 CN disclosed
US-20180002335-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-04 US disclosed
US-9676676-B2 Selective olefin metathesis with cyclometalated ruthenium complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-06-13 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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 (7 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CD44 2378/4885CYP3A4 2433/4885TDP1 1532/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CD44 2756/4885CYP3A4 2340/4885TDP1 1361/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS CD44 712/4885CYP3A4 3742/4885TDP1 705/4885
US-20180002335-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CD44 1311/4885CYP3A4 2491/4885TDP1 1090/4885
US-20200239504-A1 METAL COMPLEXES COMPRISING ANILINE TYPE LIGANDS SQLE, SOAT1, SOAT2 CD44 3823/4885CYP3A4 31/4885TDP1 3885/4885
US-11066434-B2 Metal complexes comprising aniline type ligands SQLE, SOAT1, SOAT2 CD44 3823/4885CYP3A4 31/4885TDP1 3885/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH CD44 4332/4885CYP3A4 853/4885TDP1 2359/4885

“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.