SCHEMBL15230331

SCHEMBL15230331

CN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cc4[nH]ncc34)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 13/20 0.50
CYP1A2 P05177 6/20 0.48
KCNH2 Q12809 2/20 0.48
TNKS O95271 3/20 0.47
HRH4 Q9H3N8 1/20 0.45
SLC6A3 Q01959 2/20 0.42
SCN9A Q15858 1/20 0.42
GABRA1 P14867 1/20 0.42

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
SCHEMBL15230089 0.89 METAP2 (0.49) METAP2CYP1A2KCNH2HRH4SLC6A3
SCHEMBL15230029 0.88 METAP2 (0.50) METAP2CYP1A2KCNH2SLC6A3SCN9A
SCHEMBL15230981 0.85 METAP2 (0.46) METAP2CYP1A2KCNH2HRH4SLC6A3
SCHEMBL15230357 0.84 KCNH2 (0.50) METAP2CYP1A2KCNH2HRH4SLC6A3
SCHEMBL15230093 0.83 METAP2 (0.55) METAP2CYP1A2KCNH2HRH4
SCHEMBL15229972 0.82 METAP2 (0.53) METAP2CYP1A2KCNH2HRH4SLC6A3
SCHEMBL15230073 0.82 METAP2 (0.48) METAP2CYP1A2KCNH2HRH4SLC6A3
SCHEMBL15229913 0.80 METAP2 (0.45) METAP2CYP1A2KCNH2HRH4SLC6A3
SCHEMBL15230248 0.80 METAP2 (0.60) METAP2CYP1A2
SCHEMBL15230645 0.79 METAP2 (0.56) METAP2CYP1A2

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-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 US claimed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 US claimed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 WO claimed
US-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 US disclosed
US-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 US disclosed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 WO disclosed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 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-20150005232-A1 INDAZOLE DERIVATIVES GPR119, INSR, INSRR METAP2 46/4885CYP1A2 6/4885KCNH2 2749/4885

“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.