SCHEMBL9948469

SCHEMBL9948469

Cc1ncnc(NCC#N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
MTOR P42345 3/20 0.37
PIK3CG P48736 3/20 0.37
BRAF P15056 2/20 0.37
RAF1 P04049 1/20 0.37
KDR P35968 1/20 0.37
TGFBR2 P37173 1/20 0.37
CSNK1D P48730 1/20 0.37
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1644689 0.75 CDK1 (0.34) CDK1CDK2PIK3CDPIK3CAPIK3CB
SCHEMBL17563728 0.74 POLB (0.40) RAF1POLBSMN1; SMN2HTTALDH1A1
SCHEMBL18679035 0.73 CXCR4 (0.41) CDK1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL9393514 0.71 LMNA (0.39) CDK1CDK2HTTALDH1A1CYP1A2
SCHEMBL14606528 0.70
SCHEMBL3783284 0.69 CDK1 (0.31) CDK1CDK2PIK3CDPIK3CAPIK3CB
SCHEMBL10024718 0.67 RAB9A (0.35) RAB9AHTTGAA
SCHEMBL8676105 0.66 KCNH3 (0.47) RAB9ASMN1; SMN2HTTALDH1A1GLA
SCHEMBL467436 0.65
SCHEMBL16925623 0.64

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 CDK1 88/4885CDK2 79/4885PIK3CD 8/4885

“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.