SCHEMBL4836325

SCHEMBL4836325

COc1ccc(N2C(N)=c3ccoc3=NC2C(=O)NCCN(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ ATM Q13315 3/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL4833940 0.83 ALDH1A1 (0.41) CYP2D6POLBALDH1A1RAB9AGAA
SCHEMBL4836739 0.82 POLB (0.40) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4835760 0.81 L3MBTL1 (0.38) POLBCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL4831357 0.81 ALDH1A1 (0.38) POLBCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL4831333 0.80 CYP2C19 (0.39) CYP2D6POLBCYP3A4ALDH1A1CYP2C9
SCHEMBL4834037 0.80 KMT2A (0.39) CYP2D6CYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL4834312 0.80 FYN (0.41) CYP2D6ALDH1A1HPGDRAD52
SCHEMBL4825859 0.79 MAPT (0.44) ALDH1A1
SCHEMBL5128956 0.78 BACE1 (0.40) POLBCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL4833553 0.78 MAPT (0.40) POLBALDH1A1HPGDRAB9ASMN1; SMN2

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 CYP2D6 2559/4885POLB 928/4885ATM 1494/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR CYP2D6 1693/4885POLB 1327/4885ATM 1421/4885

“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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