SCHEMBL115474

SCHEMBL115474

Cc1nc(N)c(F)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA1 P30542 3/20 0.33
ALDH1A1 P00352 1/20 0.32
PDE10A Q9Y233 1/20 0.31
DYRK1A Q13627 2/20 0.31
KHK P50053 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 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
SCHEMBL116963 0.82 TDP1 (0.35)
SCHEMBL30861998 0.75 ALDH1A1 (0.35) HTTALDH1A1KHK
SCHEMBL22655948 0.75 TDP1 (0.31)
SCHEMBL259072 0.75 PDE10A (0.52) HTTSMN1; SMN2ADORA1ALDH1A1PDE10A
SCHEMBL20267103 0.75 ALDH1A1 (0.35) HTTALDH1A1KHK
SCHEMBL29484711 0.75 HTT (0.35) HTTSMN1; SMN2ADORA1ALDH1A1PDE10A
SCHEMBL14165804 0.75 HTT (0.35) HTTSMN1; SMN2ADORA1ALDH1A1PDE10A
SCHEMBL9160684 0.75 HSP90B1 (0.33) ADORA1KHKADORA2A
SCHEMBL116212 0.75 HTT (0.37) HTTSMN1; SMN2ADORA1ALDH1A1PDE10A
SCHEMBL31484438 0.73 KMT2A (0.44) HTTSMN1; SMN2ADORA1ALDH1A1PDE10A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
EP-1968956-A2 CALCIUM CHANNEL ANTAGONISTS Icagen, Inc. (US) 2008-09-17 EP disclosed
EP-1968596-A2 CALCIUM CHANNEL ANTAGONISTS Icagen, Inc. (US) 2008-09-17 EP disclosed
US-20070197523-A1 CALCIUM CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2007-08-23 US disclosed
US-20070173504-A1 CALCIUM CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2007-07-26 US disclosed
WO-2007075852-A2 CALCIUM CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2007-07-05 WO disclosed
WO-2007073497-A2 CALCIUM CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2007-06-28 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 (3 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD HTT 1270/4885SMN1; SMN2 1834/4885ADORA1 3744/4885
US-20070173504-A1 CALCIUM CHANNEL ANTAGONISTS CACNA1E, CACNA1H, CACNA1G HTT 948/4885SMN1; SMN2 1304/4885ADORA1 627/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD HTT 1270/4885SMN1; SMN2 1834/4885ADORA1 3744/4885

“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.