SCHEMBL161330

SCHEMBL161330

NC(=O)c1cccc(C(=O)O)c1NC(=O)C(F)(F)c1ccc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.39
JAK1 P23458 5/20 0.38
TYK2 P29597 5/20 0.38
STAT3 P40763 1/20 0.38
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 1/20 0.38
P2RX7 Q99572 3/20 0.35
PDE4D Q08499 1/20 0.34
DHODH Q02127 1/20 0.34
LMNA P02545 1/20 0.34
MAPK10 P53779 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CSF1R P07333 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CETP P11597 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
SCHEMBL164380 0.82 JAK2 (0.50) JAK2JAK1TYK2STAT3JAK3
SCHEMBL30087636 0.70 KCNN4 (0.41) JAK2JAK1TYK2STAT3JAK3
SCHEMBL160679 0.70 KCNN4 (0.40) JAK2KDM4EP2RX7LMNAMAPK10
SCHEMBL30628308 0.69 TRPV4 (0.35) KDM4EP2RX7CETP
SCHEMBL160471 0.69 TRPV4 (0.35) KDM4EP2RX7CETP
SCHEMBL176261 0.67 JAK2 (0.46) JAK2JAK1TYK2STAT3JAK3
SCHEMBL161757 0.65 CA1 (0.39) KDM4EP2RX7CNR1CNR2CETP
SCHEMBL4607513 0.64 ALB (0.49) JAK2KDM4EP2RX7
SCHEMBL14270911 0.63 KMT2A (0.40) KDM4ELMNAMAPK8
SCHEMBL162284 0.63 KDM4E (0.36) KDM4EP2RX7DHODHLMNARPS6KB1

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.