SCHEMBL4828809

SCHEMBL4828809

COc1ccc(N2C(c3cccc(C(=O)Nc4cccnc4)c3)=Nc3occc3C2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CSF1R P07333 1/20 0.46
▸ BRAF P15056 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL4830822 0.91 KMT2A (0.43) ALDH1A1RAB9AKMT2APOLBBRAF
SCHEMBL4833985 0.85 RAB9A (0.50) ALDH1A1RAB9AKMT2APOLBBRAF
SCHEMBL4836670 0.84 CHRM2 (0.38) ALDH1A1RAB9AKMT2APOLBTSHR
SCHEMBL4835662 0.83 PARP1 (0.40) RAB9AKMT2APOLBMEN1
SCHEMBL4833372 0.83 CSNK2A1 (0.41) RAB9AKMT2ASMN1; SMN2PKMLMNA
SCHEMBL4835205 0.83 ACSS2 (0.43) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL4833776 0.83 FYN (0.46) ALDH1A1KMT2APOLBBRAFHSD17B10
SCHEMBL4831245 0.83 TEK (0.48) ALDH1A1RAB9AKMT2APOLBTSHR
SCHEMBL4836769 0.82 MAPT (0.44) ALDH1A1RAB9AKMT2APOLBSMN1; SMN2
SCHEMBL4836190 0.82 GSK3B (0.46) ALDH1A1RAB9AKMT2APOLBCSF1R

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-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US claimed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP claimed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO claimed
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 ALDH1A1 906/4885RAB9A 3248/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885RAB9A 4166/4885KMT2A 334/4885

“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.

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