SCHEMBL4834347

SCHEMBL4834347

COc1ccccc1C1=Nc2occc2C(N)N1c1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.37
▸ ESRRA P11474 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ ADCY2 Q08462 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ AVPR2 P30518 1/20 0.30
▸ OXTR P30559 1/20 0.30
▸ AVPR1A P37288 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL4833449 0.88 AVPR2 (0.41) P2RX3MEN1KMT2AATMHPGD
SCHEMBL4836160 0.88 P2RX3 (0.39) P2RX3MEN1KMT2AATMJAK2
SCHEMBL4834109 0.85 P2RX3 (0.37) P2RX3MEN1KMT2AATMJAK2
SCHEMBL4829076 0.81 PDE4D (0.36) MEN1KMT2AATMS1PR1AVPR2
SCHEMBL4829275 0.81 NPBWR1 (0.36) TP53SMN1; SMN2
SCHEMBL4834212 0.79 RAB9A (0.38) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL4833548 0.78 TSHR (0.40) MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4826855 0.77 MAPT (0.40) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL4825785 0.75 HSD11B1 (0.42) MEN1KMT2AHPGDABCG2NPC1
SCHEMBL4831117 0.74 RAB9A (0.38) MEN1KMT2AAVPR2OXTRAVPR1A

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 P2RX3 1980/4885ESRRA 1617/4885MEN1 303/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR P2RX3 444/4885ESRRA 3536/4885MEN1 1454/4885

“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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