SCHEMBL2559593

SCHEMBL2559593

O=Cc1ncc2c(n1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.42
CDK5R1 Q15078 9/20 0.42
CCNA2 P20248 6/20 0.41
CDK2 P24941 6/20 0.41
GRM5 P41594 2/20 0.41
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
MAOB P27338 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CCND3 P30281 1/20 0.36
FLT3 P36888 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32

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
SCHEMBL1596530 0.81 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL8633498 0.81 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL2573750 0.75 POLB (0.48) CDK2MAOBCDK6HTR2CHTR2B
SCHEMBL29951721 0.75 PDK1 (0.30)
SCHEMBL4298369 0.73 CDK5 (0.50) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL4298365 0.73 CDK5 (0.50) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL2930804 0.72 GRM1 (0.32)
SCHEMBL29952916 0.72 GRM1 (0.32)
SCHEMBL426656 0.69 GRM5 (0.51) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL6234455 0.69 CDK5 (0.46) CDK5CDK5R1CCNA2CDK2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 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 (2 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 CDK5 2939/4885CDK5R1 1371/4885CCNA2 3616/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ CDK5 3154/4885CDK5R1 3311/4885CCNA2 2478/4885

“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.