SCHEMBL176261

SCHEMBL176261

NC(=O)c1ccccc1NC(=O)C(F)(F)c1ncc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
JAK1 P23458 3/20 0.46
TYK2 P29597 3/20 0.46
STAT3 P40763 1/20 0.46
JAK3 P52333 1/20 0.46
GLA P06280 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK10 P53779 2/20 0.43
MAPK8 P45983 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
PDE4D Q08499 1/20 0.42
HPGD P15428 1/20 0.42
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 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
SCHEMBL164380 0.85 JAK2 (0.50) JAK2JAK1TYK2STAT3JAK3
SCHEMBL159515 0.80 AGTR1 (0.50) KDM4EALDH1A1MAPK10MAPK8HPGD
SCHEMBL8645992 0.77 KDM4E (0.55) JAK2GLAKDM4EALDH1A1HPGD
SCHEMBL3078843 0.70 KDM4E (0.72) GLAKDM4EALDH1A1HPGDMAPT
SCHEMBL5365142 0.69 KDM4E (0.65) KDM4EALDH1A1HPGDMAPTPDCD1
SCHEMBL158432 0.68 JAK2 (0.49) JAK2JAK1TYK2STAT3JAK3
SCHEMBL31128489 0.68 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTPDCD1
SCHEMBL30932670 0.67 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMAPTPDCD1
SCHEMBL14252955 0.67 PDCD1 (0.72) GLAKDM4EALDH1A1AGTR1HTT
SCHEMBL173853 0.67 SIRT2 (0.49) KDM4EALDH1A1HPGDAGTR1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 JAK2 2/4885JAK1 4/4885TYK2 3/4885

“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.