SCHEMBL91484

SCHEMBL91484

Cc1ccnc(NC2CCCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.60
KDM4E B2RXH2 2/20 0.59
GAA P10253 1/20 0.59
CDK1 P06493 5/20 0.57
CCNB1 P14635 5/20 0.57
CDK2 P24941 4/20 0.57
CDK4 P11802 3/20 0.57
CCNA2 P20248 3/20 0.57
CCND1 P24385 3/20 0.57
CCNA1 P78396 3/20 0.57
HRH4 Q9H3N8 3/20 0.55
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CCNE1 P24864 2/20 0.50
CCND3 P30281 1/20 0.50
CDK6 Q00534 1/20 0.50
CCNB2 O95067 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
MAPK8 P45983 2/20 0.48
MAPK9 P45984 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
SCHEMBL91478 0.98 CTSK (0.58) CTSKKDM4EGAACDK1CCNB1
SCHEMBL91469 0.91 CTSK (0.49) CTSKKDM4EGAACDK1CCNB1
SCHEMBL18677322 0.83 CDK1 (0.54) CTSKCDK1CCNB1CDK2CDK4
SCHEMBL6508763 0.83 IKBKB (0.58) CTSKCDK1CCNB1CDK2CDK4
SCHEMBL15830033 0.83 MAPK1 (0.62) HRH4MAPK8MAPK9MKNK2PIK3C3
SCHEMBL24065221 0.83 CDK1 (0.54) CTSKCDK1CCNB1CDK2CDK4
SCHEMBL12367075 0.82 IKBKB (0.61) CDK1CCNB1CDK2CDK4CCNA2
SCHEMBL13693348 0.82 BRD4 (0.52) CDK1CCNB1CDK2CDK4CCNA2
SCHEMBL13524818 0.82 BRD4 (0.52) CDK1CCNB1CDK2CDK4CCNA2
SCHEMBL17151392 0.82 MKNK1 (0.55) CTSKCDK1CCNB1CDK2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 US disclosed
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 US disclosed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-9499567-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-11-22 US disclosed
US-9499567-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-11-22 US disclosed
US-20150322088-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 US disclosed
US-20150322088-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 US disclosed
US-20140350012-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-11-27 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-8835437-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-16 US disclosed
US-8835437-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-16 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 US disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009147170-A2 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2009-12-10 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 (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-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, DLAT CTSK 3573/4885KDM4E 2368/4885GAA 1407/4885
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 CTSK 3406/4885KDM4E 2569/4885GAA 1392/4885
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 CTSK 1853/4885KDM4E 3115/4885GAA 367/4885
US-20140350012-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, NNT CTSK 3357/4885KDM4E 2865/4885GAA 1355/4885
US-20150322088-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 CTSK 3406/4885KDM4E 2569/4885GAA 1392/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CTSK 1606/4885KDM4E 3041/4885GAA 2653/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CTSK 2315/4885KDM4E 2526/4885GAA 2568/4885

“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.