SCHEMBL3607601

SCHEMBL3607601

CC(=O)NCCCNc1cc(-c2cc(C)nc(Nc3cccc(Cl)c3)n2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.61
CDK2 P24941 4/20 0.61
CDK5 Q00535 3/20 0.61
CDK5R1 Q15078 3/20 0.61
MAPT P10636 3/20 0.61
CDK4 P11802 2/20 0.61
CCNB1 P14635 2/20 0.61
CCNA2 P20248 2/20 0.61
CCND1 P24385 2/20 0.61
CDK7 P50613 2/20 0.61
CCNH P51946 2/20 0.61
MTOR P42345 2/20 0.61
SMG1 Q96Q15 2/20 0.61
NPC1 O15118 2/20 0.61
XBP1 P17861 2/20 0.61
MAPK1 P28482 2/20 0.61
HTT P42858 2/20 0.61
RAB9A P51151 2/20 0.61
CCNT1 O60563 1/20 0.61
CCNE1 P24864 1/20 0.61

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
SCHEMBL3608083 0.86 CSNK2A1 (0.69) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL3609187 0.86 CDK2 (0.61) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL6107317 0.84 CDK1 (0.72) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL3610608 0.83 CDK1 (0.56) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL3601133 0.80 CDK2 (0.56) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL6107401 0.77 CDK1 (0.81) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL29397852 0.77 CDK1 (1.00) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL29385808 0.77 CDK1 (1.00) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL30782585 0.77 CDK1 (1.00) CDK1CDK2CDK5CDK5R1MAPT
SCHEMBL7813303 0.77 CDK1 (0.96) CDK1CDK2CDK5CDK5R1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CDK1 3769/4885CDK2 3078/4885CDK5 2948/4885

“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.