SCHEMBL17544867

SCHEMBL17544867

CCc1nnc(CN)n1Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.42
PDE6D O43924 1/20 0.42
RGS4 P49798 2/20 0.40
RGS8 P57771 2/20 0.40
SLC2A1 P11166 1/20 0.39
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
DHFR P00374 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TYMS P04818 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL17544823 0.88 RAB9A (0.43) RAB9ALOXL2RGS4RGS8SLC2A1
SCHEMBL17544468 0.84 CYP3A4 (0.47) RAB9ALOXL2PDE6DRGS4RGS8
SCHEMBL17544762 0.80 CYP3A4 (0.42) RAB9ALOXL2PDE6DKMT2ACYP3A4
SCHEMBL17544571 0.78 RAB9A (0.37) RAB9ALOXL2PDE6DSLC2A1CYP3A4
SCHEMBL17544585 0.75 OPRK1 (0.46) RAB9AKMT2AMEN1LMNAHPGD
SCHEMBL28174173 0.69 RAB9A (0.46) RAB9ALMNAHPGDMAPTCYP19A1
SCHEMBL17544790 0.69 LOXL2 (0.44) LOXL2SLC2A1LMNAHPGDMAPT
Ethylamine SCHEMBL1568352 0.66 LOXL2 (0.84) LOXL2CYP1A2LMNATAAR1
SCHEMBL22309074 0.66 RAB9A (0.46) RAB9ALOXL2LMNAMAPTCYP19A1
SCHEMBL21333131 0.65 ALDH1A1 (0.59) RAB9ARGS4RGS8SLC2A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 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 (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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 RAB9A 758/4885LOXL2 3330/4885PDE6D 3573/4885

“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.