SCHEMBL161934

SCHEMBL161934

COC(=O)c1cccc2c(Br)nc(C(F)(F)c3ccc(F)cn3)nc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
PSMD14 O00487 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDK2 Q15119 1/20 0.35
GAA P10253 3/20 0.34
SLC40A1 Q9NP59 1/20 0.34
ADORA2A P29274 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL174524 0.79 AURKA (0.44)
SCHEMBL159396 0.78 TNKS (0.39) MAPTPIM1PIM2KDM4ESLC6A4
SCHEMBL162284 0.75 KDM4E (0.36) PIM1PIM2KDM4EALDH1A1RPS6KB1
SCHEMBL161917 0.73 RPS6KB1 (0.41) PIM1PIM2RPS6KB1AKT1
SCHEMBL158172 0.73 ADORA2A (0.41) MAPTKDM4EALDH1A1ADORA2AKMT2A
SCHEMBL174339 0.70 HTR2C (0.42) MAPTKDM4EALDH1A1KMT2A
SCHEMBL163623 0.70 NR1H2 (0.35) KDM4ESLC6A4SLC6A3ALDH1A1ADORA2A
SCHEMBL160097 0.70 ENPP3 (0.34)
SCHEMBL160702 0.69 JAK2 (0.44)
SCHEMBL158566 0.69 BDKRB1 (0.36) PIM1PIM2ALDH1A1SLC40A1KMT2A

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 MAPT 2693/4885PSMD14 2973/4885PIM1 650/4885

“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.