SCHEMBL16636496

SCHEMBL16636496

Fc1cc(Br)c(OCc2ccccc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM1A O60341 7/20 0.49
MAOB P27338 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NPC1 O15118 1/20 0.44
PTGER1 P34995 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL31166845 0.91 RAB9A (0.49) RAB9ASMN1; SMN2KDM1AMAOBHTR2A
SCHEMBL416139 0.88 KDM1A (0.48) RAB9ASMN1; SMN2KDM1AMAOBMAPT
SCHEMBL5267929 0.87 MRGPRX4 (0.46) RAB9ASMN1; SMN2KDM1AMAOBHTR2A
SCHEMBL20922980 0.87 RAB9A (0.46) RAB9ASMN1; SMN2KDM1AMAOBHTR2A
SCHEMBL31611455 0.85 RAB9A (0.48) RAB9ASMN1; SMN2KDM1AMRGPRX4FFAR1
SCHEMBL20639243 0.84 MRGPRX4 (0.45) RAB9ASMN1; SMN2KDM1AMAOBHTR2A
SCHEMBL31110667 0.83 MAOB (0.49) RAB9ASMN1; SMN2KDM1AMAOBHTR2A
SCHEMBL207723 0.83 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2KDM1AMAOBMAPT
SCHEMBL31110673 0.83 MAOB (0.49) RAB9ASMN1; SMN2KDM1AMAOBHTR2A
SCHEMBL27262835 0.82 PTPN1 (0.47) RAB9ASMN1; SMN2KDM1AMAOBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-10138253-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-11-27 US disclosed
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-08-30 US disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
EP-3334741-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-06-20 EP disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
WO-2017025913-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-02-16 WO disclosed
EP-3055315-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 RAB9A 3839/4885SMN1; SMN2 3466/4885KDM1A 4697/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 RAB9A 3839/4885SMN1; SMN2 3466/4885KDM1A 4697/4885
US-10138253-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication TYMP, TYMS, CCNI RAB9A 3001/4885SMN1; SMN2 2275/4885KDM1A 1969/4885
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 RAB9A 3839/4885SMN1; SMN2 3466/4885KDM1A 4697/4885

“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.