SCHEMBL162623

SCHEMBL162623

O=C(c1ccc(F)cn1)c1nc(Cl)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
METAP1 P53582 1/20 0.37
MAPT P10636 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
BDKRB1 P46663 1/20 0.34
PDE4A P27815 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
SCHEMBL159829 0.81 KDM4E (0.53) GRM2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL27845960 0.80 MAOA (0.47) ALDH1A1HPGDKDM4EHTTMETAP1
SCHEMBL163563 0.75 IGFBP3 (0.43) GRM2ALDH1A1KMT2AMEN1METAP1
SCHEMBL22694433 0.73 MAOA (0.47) ALDH1A1HPGDALOX15HSD17B10KDM4E
SCHEMBL160645 0.73 AURKA (0.71)
SCHEMBL165853 0.72 GRM2 (0.43) GRM2KDM4EKMT2AMEN1HTT
SCHEMBL20352582 0.72 MAOA (0.45) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL20104422 0.72 KMT2A (0.56) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL164594 0.71 ABCG2 (0.43) GRM2KDM4EKMT2AMEN1HTT
SCHEMBL31716509 0.71 METAP1 (0.63) ALDH1A1HPGDHSD17B10KDM4EKMT2A

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 GRM2 1721/4885ALDH1A1 4588/4885HPGD 2294/4885

“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.