SCHEMBL3514889

SCHEMBL3514889

N=C(N)NCCC[CH]C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
ALB P02768 1/20 0.33
SPHK1 Q9NYA1 3/20 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
SCHEMBL10772553 0.94 ALOX15 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3977924 0.86 ALOX15 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3603087 0.82 ALOX15 (0.39) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772166 0.80 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772165 0.80 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL261594 0.78
SCHEMBL6135863 0.77 ALOX15 (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL5149959 0.76
Bicarbonate SCHEMBL9192764 0.75 ALOX15 (0.48) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772209 0.75 ALOX15 (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP claimed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO claimed
US-20100298352-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-11-25 US disclosed
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US disclosed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
US-6395737-B1 ANTICOAGULANTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-28 US disclosed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US disclosed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP disclosed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 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-20100298352-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS TP53, TSG101, CDC7 ALOX15 4679/4885MEN1 1876/4885CYP1A2 4847/4885
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 ALOX15 3352/4885MEN1 1981/4885CYP1A2 3435/4885

“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.