SCHEMBL9977798

SCHEMBL9977798

Cc1ccc(-n2nccn2)c(C(=O)NCCn2ccc(-c3ccc(F)cn3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00

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
SCHEMBL9977858 0.93 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL9977850 0.88 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL9977901 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL9977796 0.85 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL16648485 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL9977902 0.84 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL16648692 0.83 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL9977882 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL9977833 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16648940 0.83 HCRTR1 (0.81) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US claimed
EP-2653469-A1 PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-10-23 EP claimed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
EP-2653469-A1 PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-10-23 EP disclosed
WO-2012081692-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-06-21 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-20130281465-A1 PYRAZOLE DERIVATIVE HCRTR1, HCRTR2, NPY4R HCRTR1 1/4885HCRTR2 2/4885

“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.