SCHEMBL17640909

SCHEMBL17640909

Cc1cc(C)n(-c2cc(Br)cc(N3CCOCC3)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 6/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 1/20 0.52
EGFR P00533 1/20 0.51
TSHR P16473 2/20 0.46
RAB9A P51151 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
MAPK1 P28482 3/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 3/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL21143648 0.86 HTT (0.55) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL31127289 0.86 HTT (0.55) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL17629354 0.79 TSHR (0.53) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL17629356 0.78 HTT (0.47) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL17640920 0.76 SMN1; SMN2 (0.41) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL24270121 0.76 KDM4E (0.50) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL21144023 0.74 SMN1; SMN2 (0.58) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL21144344 0.74 SMN1; SMN2 (0.58) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL19687120 0.73 MAPT (0.46) HTTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL21144069 0.72 POLB (0.47) HTTSMN1; SMN2ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197895-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-11 EP disclosed
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
WO-2016046241-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 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 (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-10004724-B2 Compounds alpha v beta 6 integrin antagonists ITGAV, ITGB6, ITGB1 HTT 4514/4885SMN1; SMN2 2791/4885ALDH1A1 820/4885
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS ITGAV, ITGB6, ITGB1 HTT 4553/4885SMN1; SMN2 3236/4885ALDH1A1 1219/4885

“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.