SCHEMBL7991714

SCHEMBL7991714

O=C(O)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.52
IRAK4 Q9NWZ3 7/20 0.45
MAPK10 P53779 3/20 0.45
HDAC1 Q13547 1/20 0.43
MAPK8 P45983 4/20 0.40
MAPK9 P45984 3/20 0.40
CDK2 P24941 6/20 0.40
JUN P05412 1/20 0.40
IGF1R P08069 2/20 0.39
KIT P10721 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
ADORA2A P29274 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL700697 0.90 DYRK1A (0.49) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL7988056 0.88 DYRK1A (0.49) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL699195 0.85 HDAC1 (0.64) DYRK1AHDAC1
SCHEMBL10252141 0.80 IRAK4 (0.44) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL700179 0.77 DYRK1A (0.54) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL7978513 0.73 CDK2 (0.69) IRAK4MAPK10HDAC1MAPK8MAPK9
SCHEMBL700029 0.73 HDAC1 (0.67) DYRK1AIRAK4MAPK10HDAC1
SCHEMBL701046 0.72 DYRK1A (0.60) DYRK1AIRAK4MAPK10HDAC1MAPK8
SCHEMBL12847239 0.69 CDK2 (0.46) DYRK1AIRAK4MAPK8MAPK9CDK2
SCHEMBL701954 0.67 HDAC1 (0.68) DYRK1AIRAK4MAPK10HDAC1

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 5 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 disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO 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-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.