SCHEMBL3576716

SCHEMBL3576716

CCOn1ccc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.47
CCND1 P24385 4/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
NOTUM Q6P988 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
SLC6A2 P23975 3/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL30233726 1.00 CDK4 (0.47) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL30233822 0.86 CDK4 (0.42) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL7987460 0.82 CDK4 (0.42) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL5236935 0.82 CDK4 (0.41) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL30388872 0.81 CDK4 (0.43) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL29617408 0.79 TSHR (0.46) CDK4CCND1KMT2AALDH1A1TSHR
SCHEMBL3334839 0.79 TSHR (0.46) CDK4CCND1KMT2AALDH1A1TSHR
SCHEMBL321199 0.78 CDK4 (0.45) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL4288131 0.78 CDK4 (0.45) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL29614841 0.78 CDK4 (0.45) CDK4CCND1HTR2AHTR2CNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006014-B1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LTD (CN) 2023-10-11 EP disclosed
US-11530196-B2 Pyrimidine compound acting on EGFR and ERBB2 CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LIMITED (CN) 2022-12-20 US disclosed
EP-4006014-A1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 Medshine Discovery Inc. (CN) 2022-06-01 EP disclosed
WO-2022010352-A1 5-HYDROXYINDOLE AND ANALOGS THEREOF AS STIMULANTS OF GUT MOTILITY RIJKSUNIVERSITEIT GRONINGEN (NL) 2022-01-13 WO disclosed
WO-2021018017-A1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 南京明德新药研发有限公司 2021-02-04 WO disclosed
EP-3724183-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS Bristol-Myers Squibb Company (US) 2020-10-21 EP disclosed
WO-2019118799-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-20 WO disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
CN-100393309-C Use of alpha-thiophenylcarboxylic and alpha-phenoxycarboxylic acids with serum glucose lowering and serum lipid lowering activity SIGMA TAU IND FARMACEUTI (IT) 2008-06-11 CN disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 US disclosed
CN-1728992-A Use of alpha-phenylthiocarboxylic and alpha-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity SIGMA TAU IND FARMACEUTI (IT) 2006-02-01 CN disclosed
US-6238439-B1 DYEING HAIR WITH IODIDE-FREE, TWO-COMPONENT DYE COMPRISING INDOLE COMPOUND AND AN AQUEOUS ALKALINE OXIDIZER SOLUTION OF HYDROGEN PEROXIDE, UREA PEROXIDE, A PERCARBONATE OR A PERBORATE L'OREAL (FR) 2001-05-29 US disclosed
US-4099972-A DIFFUSION TRANSFER MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-11 US disclosed
US-3974041-A Image recording member with zeolitic water containing compounds CANON KABUSHIKI KAISHA (JA) 1976-08-10 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 (2 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 CDK4 804/4885CCND1 897/4885HTR2A 269/4885
US-11530196-B2 Pyrimidine compound acting on EGFR and ERBB2 ERBB2, ERBB3, EGFR CDK4 119/4885CCND1 837/4885HTR2A 2305/4885

“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.