SCHEMBL4830748

SCHEMBL4830748

N#Cc1c(-c2ccc(Br)cc2)coc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
MAPK14 Q16539 2/20 0.42
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 4/20 0.37
ALOX15 P16050 3/20 0.37
DGAT1 O75907 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 2/20 0.35
APAF1 O14727 1/20 0.35

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
SCHEMBL27996225 0.86 ALDH1A1 (0.39) KMT2AMEN1NPSR1ADORA2AADORA1
SCHEMBL4870900 0.83 KDM4E (0.48) KMT2AMEN1NPSR1ADORA2AADORA1
SCHEMBL4866800 0.83 ADORA1 (0.46) KMT2AMEN1ADORA2AADORA1KDM4E
SCHEMBL4833149 0.83 ALDH1A1 (0.51) KMT2AMEN1ADORA2AADORA1KDM4E
SCHEMBL1785236 0.82 ALDH1A1 (0.54) KMT2AMEN1NPSR1ADORA2AADORA1
SCHEMBL4835218 0.79 ADORA1 (0.51) KMT2AMEN1NPSR1ADORA2AADORA1
SCHEMBL3117627 0.76 IKBKB (0.47) KMT2AMEN1KDM4ECA12CA1
SCHEMBL4831165 0.73 SMN1; SMN2 (0.47) KMT2AMEN1ADORA2AKDM4ETDP1
SCHEMBL5243215 0.72 PRKCZ (0.59) KMT2AMEN1NPSR1ADORA2AADORA1
SCHEMBL31070139 0.69 KMT2A (0.50) KMT2AMEN1NPSR1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK KMT2A 324/4885MEN1 303/4885NPSR1 4140/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KMT2A 334/4885MEN1 1454/4885NPSR1 3862/4885

“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.