SCHEMBL18944196

SCHEMBL18944196

CC1(O)CCN(C(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.46
KIT P10721 5/20 0.40
USP2 O75604 4/20 0.39
CYP1A2 P05177 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 3/20 0.39
MAPK1 P28482 2/20 0.39
BRD4 O60885 1/20 0.39
RIPK1 Q13546 5/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
DDR1 Q08345 1/20 0.39
LANCL2 Q9NS86 1/20 0.38
CYP2C9 P11712 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CG P48736 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL18944197 0.95 ULK1 (0.45) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18944109 0.95 ULK1 (0.47) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18932436 0.94 ULK1 (0.48) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18932435 0.91 ULK1 (0.49) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18918898 0.90 ULK1 (0.45) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18932437 0.90 ULK1 (0.47) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18918809 0.88 ULK1 (0.49) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18918761 0.88 ULK1 (0.47) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18932432 0.88 ULK1 (0.49) ULK1KITUSP2CYP1A2SMN1; SMN2
SCHEMBL18944192 0.87 ULK1 (0.50) ULK1KITUSP2CYP1A2SMN1; SMN2

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-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 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-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP3K13, WEE2 ULK1 495/4885KIT 1525/4885USP2 3929/4885

“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.