SCHEMBL4836690

SCHEMBL4836690

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(NC(=O)c3ccccc3F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ GAA P10253 2/20 0.39

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
SCHEMBL4831236 0.85 KMT2A (0.46) KDM4EPOLBNPC1RAB9AKMT2A
SCHEMBL4836450 0.85 ALDH1A1 (0.40) KDM4ETDP1NPC1RAB9AKMT2A
SCHEMBL4833908 0.85 ALDH1A1 (0.40) KDM4ETDP1NPC1RAB9AKMT2A
SCHEMBL4834356 0.82 FPR2 (0.46) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL4825748 0.81 ALDH1A1 (0.38) KDM4ETDP1POLBNPSR1KMT2A
SCHEMBL4833641 0.81 ALDH1A1 (0.49) KDM4ETDP1NPC1RAB9AKMT2A
SCHEMBL4836404 0.80 PLK1 (0.44) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL4836558 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4828870 0.79 KDR (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4831404 0.79 RAB9A (0.37) POLBNPC1RAB9AKMT2AMEN1

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 KDM4E 580/4885TDP1 1104/4885POLB 928/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDM4E 202/4885TDP1 691/4885POLB 1327/4885

“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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