SCHEMBL3676005

SCHEMBL3676005

O=[N+]([O-])c1cc2nc(Cl)nc(-c3ccco3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.40
PIK3CA P42336 4/20 0.40
CHEK1 O14757 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KMT2A Q03164 6/20 0.38
OPRK1 P41145 1/20 0.38
MAPT P10636 6/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
POLB P06746 5/20 0.37
BLM P54132 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
PKM P14618 3/20 0.37
ALOX15 P16050 3/20 0.37
CASP1 P29466 3/20 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
SCHEMBL3679435 0.73 ADORA2A (0.37) PIK3R1PIK3CACHEK1LIMK1CDK5
SCHEMBL3682944 0.71 ADORA2A (0.69) PIK3R1PIK3CAKMT2AMAPTMEN1
SCHEMBL14163701 0.64 KMT2A (0.36) PIK3R1PIK3CAKMT2AOPRK1MAPT
SCHEMBL13283798 0.64 MAPT (0.36) PIK3R1PIK3CACHEK1LIMK1CDK5
SCHEMBL6234684 0.64 CHEK1 (0.60) PIK3R1PIK3CACHEK1LIMK1CDK5
SCHEMBL11414775 0.63 MEN1 (0.54) PIK3R1PIK3CACHEK1LIMK1CDK5
SCHEMBL3673576 0.63 PIK3R1 (0.45) PIK3R1PIK3CAKMT2AMAPTMEN1
SCHEMBL3682872 0.62 MAPT (0.42) PIK3R1PIK3CAKMT2AMAPTMEN1
SCHEMBL6305829 0.61 PIK3R1 (0.61) PIK3R1PIK3CAKMT2AMAPTMEN1
SCHEMBL3682419 0.61 ADORA2A (0.64) PIK3R1PIK3CAKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
EP-1349861-B1 THIENO(3,2-d)PYRIMIDINES AND FURANO(3,2-d)PYRIMIDINES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-09-10 EP disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 US disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 US 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-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES HIF1AN, HIF1A, EGLN3 PIK3R1 1274/4885PIK3CA 683/4885CHEK1 1702/4885
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists CHRNA5, HTR5A, CHRNA6 PIK3R1 1664/4885PIK3CA 1767/4885CHEK1 3091/4885

“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.