SCHEMBL4825763

SCHEMBL4825763

CCCCN(C(N)=O)c1ccc(N2C(c3ccc(OC)cc3)=Nc3occc3C2N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.36
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ OPRM1 P35372 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL4833155 0.82 L3MBTL1 (0.34) ALDH1A1L3MBTL1POLBKDM4E
SCHEMBL4831185 0.82 MAPT (0.33) ALDH1A1CYP2C19L3MBTL1KDM4EUSP2
SCHEMBL4833648 0.81 CA1 (0.34) ALDH1A1CYP2C9POLB
SCHEMBL4833965 0.81 CASP3 (0.38) ALDH1A1L3MBTL1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4836550 0.81 MAPT (0.41) ALDH1A1CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL4826539 0.81 MAPT (0.41) ALDH1A1CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL4833411 0.80 TRPM8 (0.36) —
SCHEMBL4836559 0.79 CA1 (0.42) ALDH1A1CYP2C19KDM4ESMN1; SMN2
SCHEMBL4836465 0.78 KDR (0.39) ALOX15ALDH1A1MAPKAPK2POLBSMN1; SMN2
SCHEMBL4833920 0.78 KDR (0.39) ALOX15ALDH1A1MAPKAPK2POLBSMN1; 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 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
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

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 ALOX15 975/4885DRD2 3883/4885DRD3 4518/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALOX15 1289/4885DRD2 2575/4885DRD3 3918/4885

“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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