SCHEMBL3510093

SCHEMBL3510093

CC(C)n1cnc2c(NCc3ccccc3)cc([N+](=O)[O-])nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CDK1 P06493 13/20 0.55
▸ CDK5 Q00535 4/20 0.55
▸ CCNB1 P14635 6/20 0.52
▸ CDK2 P24941 5/20 0.52
▸ CCNB2 O95067 2/20 0.52
▸ CCNB3 Q8WWL7 2/20 0.52
▸ APAF1 O14727 4/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ CSNK1D P48730 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ HIPK4 Q8NE63 1/20 0.50
▸ SRPK1 Q96SB4 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ CCNE1 P24864 1/20 0.48
▸ CASP6 P55212 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
SCHEMBL3960323 0.88 DYRK1A (0.63) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3510112 0.81 TDP1 (0.62) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3506427 0.81 CDK1 (0.66) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL13072058 0.79 KDM4E (0.60) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL13071846 0.78 TDP1 (0.55) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL26354676 0.76 CDK1 (0.65) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL14964187 0.75 CDK1 (0.59) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL14977880 0.75 CCNE2 (0.60) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL13030941 0.75 TDP1 (0.52) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3507494 0.74 CDK1 (0.43) TDP1KDM4ENPC1MAPTCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
US-20100280065-A1 PERHARIDINES AS CDK INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-11-04 — — US disclosed
US-20100280065-A1 PERHARIDINES AS CDK INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-11-04 — — US disclosed
WO-2009034411-A1 PERHARIDINES AS CDK INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-03-19 — — WO disclosed
WO-2009034475-A2 PERHARIDINES AS CDK INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-03-19 — — 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 (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-20100280065-A1 PERHARIDINES AS CDK INHIBITORS CDK4, CDK9, CDK7 TDP1 351/4885KDM4E 66/4885NPC1 4109/4885

“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.

Send feedback