SCHEMBL9949050

SCHEMBL9949050

Cc1cc(C)nc(N2CCC3(CC2)NCNC3=O)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
SORD Q00796 2/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL2132069 0.74 HCRTR1 (0.46) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL9948744 0.72 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL9950277 0.72 NEK2 (0.43) KDM4ECCNCCDK8CDK19
SCHEMBL22148549 0.71 KMT2A (0.53) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL22148753 0.69 KMT2A (0.51) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL9963246 0.68 CYP2D6 (0.36) KDM4EALDH1A1CCNCCDK8CDK19
SCHEMBL17113557 0.68 CDK8 (0.53) CCNCCDK8CDK19
SCHEMBL13033934 0.67 KMT2A (0.56) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL1708189 0.67 KMT2A (0.56) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL9948445 0.67 KMT2A (0.50) KDM4EALDH1A1HSD17B10HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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 (1 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 KDM4E 4231/4885ALDH1A1 44/4885HSD17B10 1178/4885

“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.