SCHEMBL3621028

SCHEMBL3621028

O=C(Nc1n[nH]c2c1CN(C(=O)O)C2)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.58
CDK2 P24941 10/20 0.58
CCNA1 P78396 10/20 0.58
AURKA O14965 9/20 0.58
POLB P06746 1/20 0.44
BRD4 O60885 1/20 0.42
EP300 Q09472 1/20 0.42
CREBBP Q92793 1/20 0.42
AURKB Q96GD4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL15899875 0.82 CDK2 (0.83) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL3611357 0.80 POLB (0.47) CCNA2CDK2CCNA1AURKAPOLB
SCHEMBL2921282 0.74 CDK2 (1.00) CCNA2CDK2CCNA1AURKA
SCHEMBL1464582 0.73 CCNA2 (0.47) CCNA2CDK2CCNA1AURKANPC1
SCHEMBL2923011 0.72 CDK2 (1.00) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL2920110 0.71 AURKA (0.69) CCNA2CDK2CCNA1AURKAAURKB
SCHEMBL2923899 0.70 CCNA2 (0.61) CCNA2CDK2CCNA1AURKA
SCHEMBL2920175 0.70 CCNA2 (0.72) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL2916913 0.70 CCNA2 (0.72) CCNA2CDK2CCNA1AURKANPC1
SCHEMBL2916923 0.70 CCNA2 (0.76) CCNA2CDK2CCNA1AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750034-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 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 (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-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CCNA2 1760/4885CDK2 736/4885CCNA1 2588/4885

“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.