SCHEMBL4836404

SCHEMBL4836404

CNC(=O)c1ccc(C2N=c3occc3=C(N)N2c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.40
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PKM P14618 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ AHR P35869 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ TNKS O95271 3/20 0.35
▸ HTT P42858 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL4836558 0.90 ALDH1A1 (0.43) ALDH1A1CA1CA2
SCHEMBL4833641 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL4833730 0.87 BRAF (0.40) PLK1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4833940 0.86 ALDH1A1 (0.41) ALDH1A1GAANPC1RAB9A
SCHEMBL4833908 0.85 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL4836450 0.85 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL4833680 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9HPGDKDM4E
SCHEMBL4831211 0.83 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL4835183 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4HPGDKDM4E
SCHEMBL4825681 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 PLK1 128/4885ALDH1A1 906/4885CA1 4775/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PLK1 164/4885ALDH1A1 1144/4885CA1 4873/4885

“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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