SCHEMBL4835218

SCHEMBL4835218

COc1ccc(-c2coc(N)c2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.51
ADORA2A P29274 2/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
PTPN1 P18031 2/20 0.46
KDR P35968 1/20 0.46
MAPT P10636 8/20 0.45
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
NPSR1 Q6W5P4 5/20 0.45
RXFP1 Q9HBX9 3/20 0.45
HPGD P15428 2/20 0.45
SQOR Q9Y6N5 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43

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 0.82 ALDH1A1 (0.39) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL5243215 0.81 PRKCZ (0.59) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL4833149 0.79 ALDH1A1 (0.51) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL4866800 0.79 ADORA1 (0.46) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL4830748 0.79 KMT2A (0.50) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL4870900 0.79 KDM4E (0.48) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL1785236 0.78 ALDH1A1 (0.54) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL7574828 0.76 KMT2A (0.55) ADORA1ADORA2AMEN1KMT2APTPN1
SCHEMBL16345765 0.74 ALDH1A1 (0.49) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL3117627 0.73 IKBKB (0.47) MEN1KMT2AKDRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015000959-A1 4-AMINO-6-ARYL[2,3-D]PYRIMIDINES FOR THE INHIBITION OF EGFR TYROSINE KINASE NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (NTNU) (NO) 2015-01-08 WO disclosed
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-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-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 ADORA1 3311/4885ADORA2A 2061/4885MEN1 303/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ADORA1 713/4885ADORA2A 354/4885MEN1 1454/4885

“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.