SCHEMBL9103382

SCHEMBL9103382

Cc1nc(CC2CCN(C)CC2)cs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
PKM P14618 2/20 0.38
HTR6 P50406 3/20 0.38
DRD2 P14416 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ACHE P22303 1/20 0.37
PDE10A Q9Y233 1/20 0.36
GAA P10253 1/20 0.36
NCF1 P14598 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
FABP6 P51161 1/20 0.35

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
SCHEMBL2820205 0.83 CNR1 (0.40) PKMHTR6DRD2CNR1CNR2
SCHEMBL18772814 0.76 PKM (0.44) PKMPDE10AGAAKMT2A
SCHEMBL31200058 0.75 SMN1; SMN2 (0.35) PKMPDE10AGAAKMT2AMEN1
SCHEMBL31200380 0.74 SMN1; SMN2 (0.40) PKMGAAKMT2AMEN1
SCHEMBL14266781 0.73 KMT2A (0.54) DRD2GAAKMT2AFABP6
SCHEMBL31200393 0.71 NPC1 (0.43) PKMGAAKMT2AMEN1
SCHEMBL19853582 0.69 HRH3 (0.46) HRH3PKMACHEKMT2A
SCHEMBL22258920 0.68 MAP4K4 (0.47) HRH3HRH4ACHEPDE10ANCF1
Methimepip SCHEMBL8320104 0.67 HRH3 (0.51) HRH3HRH4HTR6DRD2ACHE
SCHEMBL10031019 0.66 PKM (0.51) PKMGAAKMT2AMEN1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507499-B2 Substituted indole/indazole-pyrimidinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2013-08-13 US claimed
US-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 US claimed

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-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K20 HRH3 685/4885HRH4 936/4885PKM 1126/4885

“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.