SCHEMBL17640920

SCHEMBL17640920

Cc1ccn(-c2cc(Br)cc(N3CCOCC3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 8/20 0.41
TP53 P04637 3/20 0.41
MAPK1 P28482 3/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TLR9 Q9NR96 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 4/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 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
SCHEMBL17640922 0.80 RAB9A (0.48) SMN1; SMN2KDM4EMAPTRAB9AALDH1A1
SCHEMBL17640923 0.79 MAPT (0.36) SMN1; SMN2KDM4EMAPTTP53MAPK1
SCHEMBL17640909 0.76 HTT (0.55) SMN1; SMN2KDM4EMAPTTP53MAPK1
SCHEMBL24270121 0.75 KDM4E (0.50) SMN1; SMN2KDM4EMAPTTP53MAPK1
SCHEMBL17629295 0.74 HTT (0.56) SMN1; SMN2KDM4EMAPTMAPK1KMT2A
SCHEMBL21143830 0.72 CFTR (0.44) SMN1; SMN2KDM4EMAPTTP53MAPK1
SCHEMBL21143661 0.72 ALDH1A1 (0.41) SMN1; SMN2KDM4EMAPTTP53MAPK1
SCHEMBL22466259 0.71 LMNA (0.46) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL22466191 0.71 MAPT (0.49) SMN1; SMN2KDM4EMAPTTP53MAPK1
SCHEMBL2174365 0.71 HTT (0.51) SMN1; SMN2KDM4EMAPTTP53MAPK1

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 SMN1; SMN2 2791/4885KDM4E 1943/4885MAPT 4342/4885
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS ITGAV, ITGB6, ITGB1 SMN1; SMN2 3236/4885KDM4E 2115/4885MAPT 4324/4885

“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.