SCHEMBL15520879

SCHEMBL15520879

O=C(NCCc1noc(-c2ccc(F)c(F)c2)n1)c1ccccc1-n1nccn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.50
HCRTR2 O43614 9/20 0.50
PDPK1 O15530 1/20 0.43
PDE10A Q9Y233 1/20 0.43
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL15519358 0.91 HCRTR1 (0.60) HCRTR1HCRTR2PDPK1PDE10AALDH1A1
SCHEMBL15520392 0.88 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL15520078 0.82 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL15520281 0.81 HCRTR2 (0.53) HCRTR1HCRTR2PDE10A
SCHEMBL15519543 0.80 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL15519484 0.80 HCRTR1 (0.63) HCRTR1HCRTR2PDE10A
SCHEMBL15603598 0.73 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL15521997 0.73 HCRTR1 (0.39) HCRTR1HCRTR2PDPK1PDE10AMAPT
SCHEMBL15520162 0.73 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL15520600 0.72 HCRTR1 (0.60) HCRTR1HCRTR2

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 1/4885PDPK1 714/4885

“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.