SCHEMBL14475428

SCHEMBL14475428

COc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cccc(OC(F)(F)F)c4)cs3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ABCG2 Q9UNQ0 7/20 0.54
ABCB1 P08183 1/20 0.52
MAPT P10636 3/20 0.48
CSNK2A1 P68400 1/20 0.47
LMNA P02545 4/20 0.46
USP2 O75604 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
TSHR P16473 3/20 0.46
CYP2C19 P33261 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL14474026 0.94 ABCG2 (0.53) KITMEN1KMT2ANPC1RAB9A
SCHEMBL14474455 0.93 MEN1 (0.62) MEN1KMT2ANPC1RAB9AABCG2
SCHEMBL14474005 0.89 ABCG2 (0.53) KITMEN1KMT2ANPC1RAB9A
SCHEMBL14474024 0.89 RAB9A (0.56) KITMEN1KMT2ANPC1RAB9A
SCHEMBL14474059 0.88 NPC1 (0.57) KITMEN1KMT2ANPC1RAB9A
SCHEMBL14474921 0.88 ABCG2 (0.60) KITMEN1KMT2ANPC1RAB9A
SCHEMBL14474408 0.87 RAB9A (0.58) KITMEN1KMT2ANPC1RAB9A
SCHEMBL14475423 0.87 ABCG2 (0.51) KITMEN1KMT2ANPC1RAB9A
SCHEMBL14474424 0.87 ABCG2 (0.61) KITMEN1KMT2ANPC1RAB9A
SCHEMBL14474151 0.87 ABCG2 (0.53) KITMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 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 (4 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA KIT 4173/4885MEN1 4790/4885KMT2A 1061/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG KIT 4255/4885MEN1 4770/4885KMT2A 1377/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA KIT 4173/4885MEN1 4790/4885KMT2A 1061/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB KIT 3161/4885MEN1 4814/4885KMT2A 800/4885

“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.