SCHEMBL1698808

SCHEMBL1698808

O=C(O)c1cccc(CN2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
P2RY2 P41231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
GRM5 P41594 1/20 0.44
CASP3 P42574 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL31751437 1.00 KMT2A (0.54) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL8377843 0.84 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1PKMKDM4E
SCHEMBL31753403 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL18137605 0.81 CYP1A2 (0.57) KMT2AMEN1ALDH1A1PKMNPSR1
SCHEMBL31753009 0.81 CYP1A2 (0.57) KMT2AMEN1ALDH1A1PKMNPSR1
SCHEMBL31752552 0.80 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1PKMTSHR
SCHEMBL930355 0.80 KMT2A (0.58) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL31753509 0.78 ALOX15 (0.52) KMT2AMEN1KDM4EALOX15TSHR
SCHEMBL23796073 0.76 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PKMKDM4E
SCHEMBL1072206 0.76 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296722-B2 Azolyl urea compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-03-29 US disclosed
US-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-11-21 US disclosed
WO-2011150198-A1 AZOLYL UREA COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 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-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof CSF1R, CSF3R, ARG1 KMT2A 371/4885MEN1 2367/4885ALDH1A1 1981/4885

“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.