SCHEMBL15519376

SCHEMBL15519376

O=C(NCCc1ccn(-c2ccc(F)cn2)n1)c1c(F)cccc1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NAMPT P43490 2/20 0.35
CXCR4 P61073 1/20 0.35
HTT P42858 1/20 0.35
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
HIF1A Q16665 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL15519023 0.87 HCAR2 (0.43) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL15521906 0.85 HCRTR1 (0.44) HCRTR1HCRTR2HCAR2NAMPTCXCR4
SCHEMBL15519621 0.84 HCRTR1 (0.43) HCRTR1HCRTR2ATMPOLBNPC1
SCHEMBL15519855 0.81 HCRTR1 (0.41) HCRTR1HCRTR2KDM5AKDM4CKDM5B
SCHEMBL15519928 0.73 HCRTR1 (0.47) HCRTR1HCRTR2HCAR2NAMPTAR
SCHEMBL15519375 0.73 HCAR2 (0.40) HCRTR1HCRTR2HCAR2KDM4AKDM5A
SCHEMBL15518883 0.73 HCRTR1 (0.52) HCRTR1HCRTR2HCAR2
SCHEMBL15604718 0.71 SCN9A (0.39) HCRTR1HCRTR2POLBHCAR2NAMPT
SCHEMBL15519415 0.71 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL15519024 0.70 TAAR1 (0.39) HCRTR1HCRTR2LMNAHCAR2KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
EP-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 EP 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-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT HCRTR1 2/4885HCRTR2 1/4885ATM 4264/4885

“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.