SCHEMBL19211682

SCHEMBL19211682

OB(O)c1ccc(CN2CCCC2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.54
HRH3 Q9Y5N1 2/20 0.50
CHKA P35790 2/20 0.49
POLB P06746 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
NCF1 P14598 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL31082092 0.97 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2HRH3CHKA
SCHEMBL20680172 0.87 CHKA (0.57) ALDH1A1HTTCHKANCF1KDM4E
SCHEMBL31082081 0.86 HRH3 (0.51) ALDH1A1HTTSMN1; SMN2HRH3NCF1
SCHEMBL29954738 0.85 ALDH1A1 (0.68) ALDH1A1HTTSMN1; SMN2HRH3POLB
SCHEMBL19211728 0.84 ALDH1A1 (0.48) ALDH1A1HTTHRH3CHKAKDM4E
SCHEMBL19211653 0.83 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2CHKAKDM4E
SCHEMBL19211684 0.82 ALDH1A1 (0.46) ALDH1A1HTTCHKAKDM4E
SCHEMBL790908 0.81 HRH3 (0.52) ALDH1A1HTTSMN1; SMN2HRH3POLB
SCHEMBL28192273 0.80 ALDH1A1 (0.96) ALDH1A1HTTSMN1; SMN2HRH3CHKA
SCHEMBL789600 0.80 HRH3 (0.55) ALDH1A1HTTSMN1; SMN2HRH3POLB

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
CN-108884046-B Chemical compounds as inhibitors of kinase activity 葛兰素史克知识产权开发有限公司 2021-11-09 CN disclosed
US-10793559-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-06 US disclosed
US-10793559-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-06 US disclosed
EP-3414228-B1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-18 EP disclosed
EP-3414228-B1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-18 EP disclosed
US-20200071311-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 US disclosed
US-20200071311-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 US disclosed
US-10457674-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-29 US disclosed
US-10457674-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-29 US disclosed
US-20190040051-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-07 US disclosed
US-20190040051-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-07 US disclosed
EP-3414228-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-12-19 EP disclosed
WO-2017137535-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-17 WO disclosed
WO-2017137535-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-17 WO 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-10793559-B2 Chemical compounds PIK3CA, PIK3CD, PIK3C2B ALDH1A1 1313/4885HTT 3137/4885SMN1; SMN2 4722/4885
US-20190040051-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B ALDH1A1 1313/4885HTT 3137/4885SMN1; SMN2 4722/4885
US-20200071311-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B ALDH1A1 1313/4885HTT 3137/4885SMN1; SMN2 4722/4885
US-10457674-B2 Chemical compounds PIK3CA, PIK3CD, PIK3C2B ALDH1A1 1313/4885HTT 3137/4885SMN1; SMN2 4722/4885

“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.