SCHEMBL4833177

SCHEMBL4833177

COc1ccc(N2C(c3cccc(C(=O)NCCc4c[nH]cn4)c3)=Nc3occc3C2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2B6 P20813 2/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ KISS1R Q969F8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ FYN P06241 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL4833197 0.91 MAPT (0.38) ALDH1A1KDM4EMAPTTRPV1TP53
SCHEMBL4834328 0.84 FYN (0.47) CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6
SCHEMBL4836670 0.80 CHRM2 (0.38) ALDH1A1KDM4EMAPTTP53
SCHEMBL4833372 0.80 CSNK2A1 (0.41) CYP2C9SMN1; SMN2TP53
SCHEMBL4835662 0.80 PARP1 (0.40) DRD4FYN
SCHEMBL4830822 0.78 KMT2A (0.43) CYP1A2CYP3A4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4833798 0.77 TEK (0.43) SMN1; SMN2HPGDFYN
SCHEMBL4828809 0.76 ALDH1A1 (0.51) NAMPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL4835270 0.76 MEN1 (0.46) ALDH1A1DRD3
SCHEMBL4833184 0.75 DRD4 (0.36) CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6

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 CYP2C9 2843/4885CYP1A2 1136/4885CYP3A4 2352/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR CYP2C9 2123/4885CYP1A2 950/4885CYP3A4 1914/4885

“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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