SCHEMBL4831245

SCHEMBL4831245

COc1ccc(C2=Nc3occc3C(N)N2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KDR P35968 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 5/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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 0.86 KMT2A (0.43) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL4836190 0.85 GSK3B (0.46) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL4833920 0.84 KDR (0.39) TEKKMT2AMEN1POLBSMN1; SMN2
SCHEMBL4836465 0.84 KDR (0.39) TEKKMT2AMEN1POLBSMN1; SMN2
SCHEMBL4828809 0.83 ALDH1A1 (0.51) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL4833812 0.82 POLB (0.44) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL4834345 0.81 CNR1 (0.44) TEKKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4836670 0.80 CHRM2 (0.38) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL4836411 0.80 PLK1 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR
SCHEMBL4833648 0.79 CA1 (0.34) POLBALDH1A1CYP2C9RAB9A

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 TEK 3/4885KMT2A 324/4885MEN1 303/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR TEK 2/4885KMT2A 334/4885MEN1 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.

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