SCHEMBL2134129

SCHEMBL2134129

N=C(NO)c1cncc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.39
IGF1R P08069 1/20 0.37
CDK2 P24941 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
BRD4 O60885 1/20 0.35
NUDT1 P36639 3/20 0.33
PIK3CD O00329 1/20 0.33
PRKCI P41743 1/20 0.33
CD38 P28907 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 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
SCHEMBL2126361 0.79 F2 (0.39) PIK3C3IGF1RCDK2DYRK1BBRD4
SCHEMBL178109 0.76 AHR (0.48) PIK3CDHDAC1HDAC2HDAC3HDAC4
SCHEMBL5302911 0.74 PIK3C3 (0.41) PIK3C3BRD4CD38HCRTR2
SCHEMBL30927021 0.74 PIK3C3 (0.41) PIK3C3BRD4CD38HCRTR2
SCHEMBL17748982 0.72 BTK (0.46) PIK3C3BRD4NUDT1
SCHEMBL30473788 0.72 BTK (0.46) PIK3C3BRD4NUDT1
SCHEMBL28175939 0.72 NR4A2 (0.47) PIK3C3BRD4
SCHEMBL2132336 0.70 BRD4 (0.35) PIK3C3IGF1RCDK2DYRK1BBRD4
SCHEMBL2616392 0.70 BRD4 (0.35) PIK3C3IGF1RCDK2DYRK1BBRD4
SCHEMBL15645614 0.69 NUDT1 (0.55) IGF1RCDK2DYRK1BNUDT1PRKCI

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
EP-2443115-B1 Pyrrolo-pyridine derivatives useful to treat diseases connected to S1P1 receptors GLAXO GROUP LTD (GB) 2013-08-28 EP disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 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-20120101123-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 PIK3C3 3145/4885IGF1R 4130/4885CDK2 1880/4885

“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.