SCHEMBL15440917

SCHEMBL15440917

C#Cc1cccc(C)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
TSHR P16473 3/20 0.38
ACHE P22303 3/20 0.37
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
EGFR P00533 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
TRPA1 O75762 2/20 0.30
CD44 P16070 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL19064597 0.83 EGFR (0.35) EGFR
SCHEMBL29672640 0.79 HPGD (0.32)
SCHEMBL23060063 0.79 HPGD (0.32)
SCHEMBL31287961 0.77 TSHR (0.60) TSHRACHECYP1A2ALDH1A1CA1
SCHEMBL16952678 0.77 TSHR (0.38) KIF11TSHRACHECYP2A6CYP1A2
SCHEMBL16959874 0.77 TSHR (0.38) KIF11TSHRACHECYP2A6CYP1A2
SCHEMBL379458 0.77 TSHR (0.60) TSHRACHECYP1A2ALDH1A1CA1
SCHEMBL1145126 0.77 TSHR (0.38) KIF11TSHRACHECYP2A6CYP1A2
SCHEMBL31285235 0.76 CES2 (0.38) EGFR
SCHEMBL2783567 0.76 CES2 (0.38) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230318037-A1 METHOD FOR PREPARING A LITHIUM ION SECONDARY BATTERY AND A LITHIUM ION SECONDARY BATTERY PREPARED THEREFROM MURATA MANUFACTURING CO., LTD. (JP) 2023-10-05 US disclosed
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability WAYSHINE BIOPHARM HOLDING LIMITED (KY) 2023-08-01 US disclosed
EP-3567030-B1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC (CN) 2022-02-09 EP disclosed
US-11040984-B2 Quinazoline compound for EGFR inhibition MEDSHINE DISCOVERY INC. (CN) 2021-06-22 US disclosed
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC. (CN) 2020-06-18 US disclosed
EP-3567030-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A (CH) 2019-08-27 US disclosed
WO-2019071351-A1 NOVEL FLUORINATED 4-ARYLOXYQUINAZOLINE DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2019-04-18 WO disclosed
US-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2019-01-17 US disclosed
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2018-07-19 US disclosed
WO-2018121758-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION 南京明德新药研发股份有限公司 2018-07-05 WO disclosed
US-9949955-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2018-04-24 US disclosed
WO-2017117680-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2017-07-13 WO disclosed
US-8748466-B2 Isoxazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-06-10 US disclosed
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-01-23 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-11040984-B2 Quinazoline compound for EGFR inhibition EGFR, ERBB2, ERBB4 KIF11 1298/4885TSHR 2223/4885ACHE 4441/4885
US-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 KIF11 829/4885TSHR 1299/4885ACHE 4841/4885
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION EGFR, ERBB2, ERBB4 KIF11 1298/4885TSHR 2223/4885ACHE 4441/4885
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors PTGES, PTGS1, PTGIS KIF11 4295/4885TSHR 2179/4885ACHE 49/4885
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability FYN, KDR, FLT1 KIF11 2651/4885TSHR 3167/4885ACHE 2266/4885
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS KIF11 4295/4885TSHR 2179/4885ACHE 49/4885
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents HAX1, PRXL2A, PRDX1 KIF11 4761/4885TSHR 4271/4885ACHE 4586/4885

“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.