SCHEMBL4834037

SCHEMBL4834037

COc1ccc(N2C(N)=c3ccoc3=NC2C(=O)Nc2cc(OC)cc(OC)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TP53 P04637 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ACSS2 Q9NR19 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 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
SCHEMBL4836739 0.93 POLB (0.40) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL4831333 0.90 CYP2C19 (0.39) KMT2AALDH1A1MEN1SMN1; SMN2GAA
SCHEMBL4825859 0.89 MAPT (0.44) KMT2AALDH1A1MEN1KDM4EHTT
SCHEMBL4833804 0.87 POLB (0.42) KMT2AALDH1A1TP53MEN1SMN1; SMN2
SCHEMBL4833975 0.86 KDM4E (0.46) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4835115 0.85 HCRTR1 (0.45) KMT2AALDH1A1TP53MEN1SMN1; SMN2
SCHEMBL4825844 0.84 POLB (0.39) ALDH1A1TP53SMN1; SMN2GAACYP1A2
SCHEMBL4833553 0.84 MAPT (0.40) KMT2AALDH1A1TP53MEN1SMN1; SMN2
SCHEMBL4831357 0.83 ALDH1A1 (0.38) KMT2AALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL4835760 0.83 L3MBTL1 (0.38) KMT2AALDH1A1SMN1; SMN2GAACYP1A2

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 7 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
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 KMT2A 324/4885ALDH1A1 906/4885TP53 54/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KMT2A 334/4885ALDH1A1 1144/4885TP53 144/4885

“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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