SCHEMBL623337

SCHEMBL623337

N#Cc1c(N2CCOCC2)sc(C(=O)O)c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.58
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
CCR2 P41597 1/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MCL1 Q07820 1/20 0.39
PIK3C2B O00750 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MTOR P42345 1/20 0.38
CTSS P25774 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 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
SCHEMBL622915 0.92 PIK3CA (0.54) PIK3CAKMT2ALMNAGAAMCOLN3
SCHEMBL10298682 0.90 PIK3CA (0.52) PIK3CAGAAMAPTHTTGRIA2
SCHEMBL10298704 0.90 PIK3CA (0.69) PIK3CAMAPTGRIA2GRIA4FNTA
SCHEMBL10298673 0.89 PIK3CA (0.52) PIK3CAKMT2ALMNAMEN1MAPT
SCHEMBL15925947 0.86 PIK3CA (0.55) PIK3CAKMT2ALMNAGAAMAPT
SCHEMBL623321 0.86 PIK3CA (0.45) PIK3CAKMT2ALMNAGAAMCOLN3
SCHEMBL10298769 0.86 PIK3CA (0.51) PIK3CAKMT2ALMNAGAAMEN1
SCHEMBL10006318 0.86 PIK3CA (0.51) PIK3CAKMT2ALMNAMEN1MAPT
SCHEMBL10006078 0.86 PIK3CA (0.45) PIK3CAKMT2ALMNAGAAMCOLN3
SCHEMBL10288606 0.85 PIK3CA (0.48) PIK3CAPIK3C2BGRIA2GRIA4FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-2603214-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885KMT2A 1647/4885LMNA 563/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885KMT2A 1647/4885LMNA 563/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885KMT2A 1460/4885LMNA 466/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885KMT2A 1460/4885LMNA 466/4885

“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.