SCHEMBL701046

SCHEMBL701046

CN(c1ccc(C(=O)NO)cc1)c1nccc(-c2cnc3ccccn23)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.60
IRAK4 Q9NWZ3 7/20 0.52
MAPK10 P53779 3/20 0.52
HDAC1 Q13547 1/20 0.49
MAPK8 P45983 4/20 0.44
MAPK9 P45984 3/20 0.44
CDK2 P24941 7/20 0.44
IGF1R P08069 2/20 0.44
JUN P05412 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
PKM P14618 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
SCHEMBL700179 0.87 DYRK1A (0.54) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL701954 0.86 HDAC1 (0.68) DYRK1AIRAK4MAPK10HDAC1
SCHEMBL700697 0.83 DYRK1A (0.49) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL699645 0.80 CDK2 (0.67) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL273046 0.77 CDK2 (0.56) MAPK8MAPK9CDK2CDK1CDK4
SCHEMBL658194 0.77 HDAC1 (0.47) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL700029 0.75 HDAC1 (0.67) DYRK1AIRAK4MAPK10HDAC1
SCHEMBL699041 0.73 CDK2 (0.68) IRAK4MAPK10HDAC1MAPK8MAPK9
SCHEMBL7991714 0.72 DYRK1A (0.52) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL1684774 0.71 CDK2 (0.58) DYRK1AHDAC1CDK2CDK1CDK4

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed

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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 DYRK1A 3146/4885IRAK4 2350/4885MAPK10 490/4885

“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.