SCHEMBL3606129

SCHEMBL3606129

Nc1cccc2c1NC(=O)CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
PARP1 P09874 2/20 0.35
AHR P35869 2/20 0.33
PDK2 Q15119 1/20 0.33
BRPF1 P55201 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CREBBP Q92793 2/20 0.32
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3584556 0.85 CREBBP (0.38) CYP11B1CYP11B2PARP1AHRPDK2
SCHEMBL31170842 0.78 CREBBP (0.49) CYP11B1CYP11B2PARP1BRPF1CREBBP
SCHEMBL22587350 0.78 CA12 (0.38) CYP11B1CYP11B2AHRPDK2BRPF1
SCHEMBL2801592 0.78 CDK5 (0.41) CYP11B1CYP11B2AHRPDK2BRPF1
SCHEMBL3606127 0.78 CYP11B1 (0.36) CYP11B1CYP11B2AHRPDK2BRPF1
SCHEMBL12749074 0.75 AURKA (0.38) CYP11B1CYP11B2PARP1AHRPDK2
SCHEMBL22605728 0.74 CES1 (0.46) CYP11B1CYP11B2PARP1ALDH1A1DDB1
SCHEMBL37900 0.71 AHR (0.50) CYP11B1CYP11B2AHRPDK2BRPF1
SCHEMBL29483964 0.71 AHR (0.50) CYP11B1CYP11B2AHRPDK2BRPF1
SCHEMBL9013032 0.70 PARP1 (0.36) PARP1NPC1ALDH1A1MAPTTDP1

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CYP11B1 162/4885CYP11B2 165/4885PARP1 1468/4885

“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.