SCHEMBL9948893

SCHEMBL9948893

O=C(c1ncncn1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.44
SRD5A2 P31213 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
RIPK1 Q13546 2/20 0.38
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMO O15229 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL9948513 0.98 JAK3 (0.41) JAK3SRD5A2CES2CES1RAB9A
SCHEMBL9949154 0.89 HTR2A (0.36) JAK3RIPK1CYP2D6SMN1; SMN2
SCHEMBL22104899 0.77 CYP2D6 (0.51) SRD5A2RIPK1CYP2D6KDM4EHTT
SCHEMBL5046528 0.73 SRD5A2 (0.49) JAK3SRD5A2CES2CES1RAB9A
SCHEMBL24922533 0.72 RAB9A (0.42) RAB9AMAPTHTTKMT2ASMN1; SMN2
SCHEMBL22104901 0.71 CYP2D6 (0.46) RIPK1CYP2D6KDM4EHPGDCYP2C19
SCHEMBL8670919 0.71 SRD5A2 (0.35) JAK3SRD5A2CES2CES1RAB9A
SCHEMBL11202151 0.69 MAPT (0.63) MAPTKDM4EHTTKMT2ASMN1; SMN2
SCHEMBL5174301 0.69 ELANE (0.43) RIPK1
SCHEMBL11638730 0.69 SRD5A2 (0.58) SRD5A2RAB9AMAPTCYP2D6KDM4E

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 3571/4885CES2 4678/4885

“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.