SCHEMBL299553

SCHEMBL299553

O=[C]NCCCn1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
QPCT Q16769 5/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SOD1 P00441 1/20 0.48

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
SCHEMBL4470085 0.89 TBXAS1 (0.50) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19786259 0.79 TBXAS1 (0.68) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20966334 0.77 TBXAS1 (0.65) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8191727 0.77
SCHEMBL9777196 0.76 TBXAS1 (0.85) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL937596 0.76 TBXAS1 (0.95) TBXAS1
SCHEMBL6933055 0.76 TBXAS1 (0.63) TBXAS1
SCHEMBL806605 0.76 TBXAS1 (0.63) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16127372 0.76 TBXAS1 (0.63) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14464744 0.76 TBXAS1 (0.63) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US claimed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US claimed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP claimed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US claimed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO claimed
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP claimed
EP-1268445-B1 4-AMINO-5-CYANO-2-ANILINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELL-CYCLE KINASES ASTRAZENECA AB (SE) 2005-08-31 EP claimed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP claimed
US-6906065-B2 4-Amino-5-cyano-2-anilino-pyrimidine derivatives and their use as inhibitors of cell-cycle kinases ASTRAZENECA AB (SE) 2005-06-14 US claimed
EP-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP claimed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 US claimed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US claimed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US claimed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP claimed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US claimed
US-20030087923-A1 4-Amino-5-cyano-2-anilino-pyrimidine derivatives and their use as inhibitors of cell-cycle kinases ASTRAZENECA AB (SE) 2003-05-08 US claimed
US-6541503-B2 Preventing chemotherapy induced alopecia. SMITHKLINE BEECHAM CORPORATION 2003-04-01 US claimed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO claimed
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-01-02 US claimed
CN-1370163-A Imidazo [1,2-A] pyridine and pyrazolo [2,3-a] pyridine derivatives ASTRAZENECA AB (SE) 2002-09-18 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR TBXAS1 779/4885CYP1A2 1647/4885CYP3A4 3330/4885
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 TBXAS1 462/4885CYP1A2 1535/4885CYP3A4 1333/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF TBXAS1 610/4885CYP1A2 1115/4885CYP3A4 1522/4885
US-20030087923-A1 4-Amino-5-cyano-2-anilino-pyrimidine derivatives and their use as inhibitors of cell-cycle kinases CDK6, CDK2, CCNT1 TBXAS1 2023/4885CYP1A2 3591/4885CYP3A4 2849/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 TBXAS1 2984/4885CYP1A2 4486/4885CYP3A4 4875/4885
US-20030225111-A1 Therapy VEGFA, AQP1, FLT1 TBXAS1 209/4885CYP1A2 482/4885CYP3A4 644/4885
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors CDK2, CDK1, CCNI TBXAS1 1166/4885CYP1A2 1514/4885CYP3A4 2658/4885

“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.