SCHEMBL17544790

SCHEMBL17544790

NCc1nncn1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CYP19A1 P11511 1/20 0.40
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
DBH P09172 1/20 0.38
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
QPCT Q16769 2/20 0.37
QPCTL Q9NXS2 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.36
GRM2 Q14416 1/20 0.36
HTT P42858 1/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL28174173 0.83 RAB9A (0.46) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL14476740 0.79 P2RX7 (0.49) TAAR1QPCTQPCTL
SCHEMBL28174136 0.76 SOS1 (0.47) CYP11B1CYP11B2CYP19A1MAPTTHRB
SCHEMBL14203996 0.76 CYP11B2 (0.44) CYP11B1CYP11B2CYP19A1MAPTTHRB
SCHEMBL28175140 0.74 OPRK1 (0.42) CYP11B1CYP11B2FNTAFNTBMAPT
SCHEMBL22309074 0.73 RAB9A (0.46) LOXL2CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL22290242 0.72 LOXL2 (0.38) LOXL2CYP19A1MAPTLMNATAAR1
SCHEMBL28174160 0.72 HTT (0.43) CYP11B1CYP11B2CYP19A1MAPTTHRB
SCHEMBL28016894 0.69 QPCT (0.44) CYP11B1CYP11B2CYP19A1MAPTTHRB
SCHEMBL17544468 0.69 CYP3A4 (0.47) LOXL2LMNAHPGDSLC2A1SOS1

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 LOXL2 3330/4885CYP11B1 2207/4885CYP11B2 3002/4885

“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.