SCHEMBL7988056

SCHEMBL7988056

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
IRAK4 Q9NWZ3 5/20 0.43
MAPK10 P53779 3/20 0.43
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK2 P24941 7/20 0.40
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
JUN P05412 1/20 0.40
HDAC1 Q13547 1/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
IGF1R P08069 2/20 0.37
CDK1 P06493 2/20 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
SCHEMBL7991714 0.88 DYRK1A (0.52) DYRK1AIRAK4MAPK10CDK2MAPK8
SCHEMBL700697 0.85 DYRK1A (0.49) DYRK1AIRAK4MAPK10SMN1; SMN2CDK2
SCHEMBL699195 0.80 HDAC1 (0.64) DYRK1ASMN1; SMN2HDAC1ALDH1A1
SCHEMBL10252141 0.78 IRAK4 (0.44) DYRK1AIRAK4MAPK10CDK2MAPK8
SCHEMBL7988053 0.77 CDK2 (0.61) IRAK4MAPK10SMN1; SMN2CDK2MAPK8
SCHEMBL700179 0.77 DYRK1A (0.54) DYRK1AIRAK4MAPK10CDK2MAPK8
SCHEMBL12847238 0.73 MAPK1 (0.48) DYRK1AIRAK4MAPK1CYP1A2CYP2C9
SCHEMBL700029 0.72 HDAC1 (0.67) DYRK1AIRAK4MAPK10SMN1; SMN2HDAC1
SCHEMBL701046 0.70 DYRK1A (0.60) DYRK1AIRAK4MAPK10CDK2MAPK8
SCHEMBL12789925 0.69 PKM (0.66) DYRK1AIRAK4CYP1A2CYP2C9CYP2C19

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.