SCHEMBL9949154

SCHEMBL9949154

O=C(c1ncncn1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
RIPK1 Q13546 13/20 0.35
CYP2D6 P10635 1/20 0.33
JAK3 P52333 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9948513 0.91 JAK3 (0.41) HRH3RIPK1CYP2D6JAK3SMN1; SMN2
SCHEMBL9948893 0.89 JAK3 (0.44) RIPK1CYP2D6JAK3SMN1; SMN2
SCHEMBL22104901 0.81 CYP2D6 (0.46) HTR2AHTR2CHTR2BRIPK1CYP2D6
SCHEMBL22104899 0.73 CYP2D6 (0.51) RIPK1CYP2D6SMN1; SMN2
SCHEMBL9949153 0.73 SMN1; SMN2 (0.33) RIPK1SMN1; SMN2
SCHEMBL24922545 0.71 NPC1 (0.49) RIPK1SMN1; SMN2
SCHEMBL1961155 0.71 HSP90AA1 (0.38)
SCHEMBL5174301 0.70 ELANE (0.43) HTR2CHTR2BRIPK1
SCHEMBL10575296 0.70 HCAR2 (0.50) HTR2AHTR2CHTR2BHRH3CYP2D6
SCHEMBL366002 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US 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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR HTR2A 2733/4885HTR2C 2219/4885HTR2B 2790/4885

“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.