SCHEMBL9948513

SCHEMBL9948513

O=C(c1ncncn1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
SRD5A2 P31213 1/20 0.39
CYP2D6 P10635 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
RIPK1 Q13546 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9948893 0.98 JAK3 (0.44) JAK3SRD5A2CYP2D6CES2CES1
SCHEMBL9949154 0.91 HTR2A (0.36) JAK3CYP2D6RIPK1SMN1; SMN2HRH3
SCHEMBL22104899 0.78 CYP2D6 (0.51) SRD5A2CYP2D6RIPK1SMN1; SMN2KDM4E
SCHEMBL24922533 0.74 RAB9A (0.42) RAB9AMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL22104901 0.73 CYP2D6 (0.46) CYP2D6RIPK1KDM4ECYP2C19
SCHEMBL8670919 0.72 SRD5A2 (0.35) JAK3SRD5A2CYP2D6CES2CES1
SCHEMBL5174301 0.71 ELANE (0.43) RIPK1
SCHEMBL5046528 0.71 SRD5A2 (0.49) JAK3SRD5A2CES2CES1RAB9A
SCHEMBL24922542 0.70 RAB9A (0.42) RAB9ASMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL1961155 0.68 HSP90AA1 (0.38)

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 JAK3 254/4885SRD5A2 3571/4885CYP2D6 2775/4885

“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.