SCHEMBL901909

SCHEMBL901909

CC(C)(C)NCc1cc(F)c(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ADRB2 P07550 1/20 0.35
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL15091311 0.78 DPP4 (0.33) ADRB2DPP4GAACYP1A2CYP2D6
SCHEMBL18459587 0.77 KMT2A (0.38) MEN1KMT2AHTTNPY1RNPY2R
SCHEMBL17141730 0.74 MEN1 (0.49) MEN1KMT2AHTTMAPTPKM
SCHEMBL903949 0.73 LMNA (0.44) ADRB2DPP4KDM4EALDH1A1HIF1A
SCHEMBL21795251 0.70 MAPT (0.42) MEN1KMT2AHTTMAPTNPY1R
SCHEMBL903950 0.70 GABRA1 (0.37) DPP4ALOX15
SCHEMBL7922884 0.69 IDO1 (0.48) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL17658902 0.69 MEN1 (0.47) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL12201588 0.68 KMT2A (0.56) MEN1KMT2AHTTPKMKDM4E
SCHEMBL15961518 0.68 RIPK1 (0.51) MEN1KMT2AHTTPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621919-B1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-13 EP disclosed
EP-2621919-B1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-13 EP disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
EP-2621919-A1 PHENYLQUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2013-08-07 EP disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
CN-103119037-A Phenyl quinazoline derivatives MERCK PATENT GMBH 2013-05-22 CN disclosed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 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-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES HSP90B1, HSP90AB1, HSP90AA1 MEN1 4358/4885KMT2A 4001/4885HTT 844/4885

“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.