SCHEMBL17544762

SCHEMBL17544762

CSc1nnc(CN)n1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE6D O43924 2/20 0.40
CYP2D6 P10635 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RAB9A P51151 1/20 0.39
ECE1 P42892 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
GNRHR P30968 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
SCHEMBL17544468 0.80 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL17544867 0.80 RAB9A (0.51) CYP3A4CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL17544579 0.78 ALDH1A1 (0.56) MEN1KMT2APDE6DNPSR1L3MBTL1
SCHEMBL17544823 0.78 RAB9A (0.43) CYP3A4CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL17544571 0.74 RAB9A (0.37) CYP3A4CYP2C9CYP2C19PDE6DALDH1A1
SCHEMBL17549944 0.72 ALDH1A1 (0.51) MEN1KMT2APDE6DL3MBTL1ALDH1A1
SCHEMBL17544580 0.70 PDE6D (0.40) CYP3A4CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL17544585 0.69 OPRK1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1RAB9A
SCHEMBL24308992 0.68 PDE6D (0.55) PDE6DALDH1A1SMN1; SMN2
SCHEMBL10921216 0.68 CYP1A2 (0.43) CYP3A4CYP2C9CYP2C19CYP1A2KMT2A

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 CYP3A4 3198/4885CYP2C9 1721/4885CYP2C19 2634/4885

“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.