SCHEMBL4099800

SCHEMBL4099800

O=c1c[c]nc2n1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 3/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
CFTR P13569 1/20 0.33
ALOX15 P16050 1/20 0.33
ACHE P22303 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GOPC Q9HD26 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL19398929 0.69 PDPK1 (0.46) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL722976 0.69 HPGD (0.41) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL11207511 0.68 HPGD (0.44) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL24630095 0.67 ALDH1A1 (0.44) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL23023688 0.67 GRM5 (0.44) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL621953 0.67 SMN1; SMN2 (0.49) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL569774 0.65
SCHEMBL875204 0.65 POLB (0.43) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL3007288 0.64 PDPK1 (0.44) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL8847636 0.64 HPGD (0.39) MEN1KMT2AHDAC6POLBHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287703-A1 Fused Pyrimidones Useful in the Treatment and the Prevention of Cancer ASTRAZENECA AB (SE) 2007-12-13 US claimed
EP-1773830-A1 FUSED PYRIMIDONES USEFUL IN THE TREATMENT AND THE PREVENTION OF CANCER AstraZeneca AB (SE) 2007-04-18 EP claimed
WO-2006008523-A1 FUSED PYRIMIDONES USEFUEL IN THE TREATMENT AND THE PREVENTION OF CANCER ASTRAZENECA AB (SE) 2006-01-26 WO claimed
US-20090171082-A1 MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-02 US disclosed
US-7504405-B2 Mitotic kinesin inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-03-17 US disclosed
US-20080249112-A1 Mitotic Kinesin Inhibitors CHIRON CORPORATION (US) 2008-10-09 US disclosed
US-20070287703-A1 Fused Pyrimidones Useful in the Treatment and the Prevention of Cancer ASTRAZENECA AB (SE) 2007-12-13 US disclosed
EP-1773830-A1 FUSED PYRIMIDONES USEFUL IN THE TREATMENT AND THE PREVENTION OF CANCER AstraZeneca AB (SE) 2007-04-18 EP disclosed
EP-1732926-A1 MITOTIC KINESIN INHIBITORS CHIRON CORPORATION (US) 2006-12-20 EP disclosed
WO-2006008523-A1 FUSED PYRIMIDONES USEFUEL IN THE TREATMENT AND THE PREVENTION OF CANCER ASTRAZENECA AB (SE) 2006-01-26 WO disclosed
WO-2005100357-A1 MITOTIC KINESIN INHIBITORS CHIRON CORPORATION (US) 2005-10-27 WO disclosed
US-20050228002-A1 Mitotic kinesin inhibitors CHIRON CORPORATION (US) 2005-10-13 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 (4 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-20090171082-A1 MITOTIC KINESIN INHIBITORS KIF5B, KIF2C, KIFC1 MEN1 1508/4885KMT2A 477/4885HDAC6 116/4885
US-20070287703-A1 Fused Pyrimidones Useful in the Treatment and the Prevention of Cancer DHFR, DPYD, TYMP MEN1 1265/4885KMT2A 3856/4885HDAC6 2120/4885
US-20050228002-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIFC1 MEN1 1508/4885KMT2A 477/4885HDAC6 116/4885
US-20080249112-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIFC1 MEN1 1408/4885KMT2A 473/4885HDAC6 123/4885

“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.