SCHEMBL3356249

SCHEMBL3356249

OC1CCN(c2nc(-c3ccccc3)c(C(F)(F)F)[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPY5R Q15761 1/20 0.41
SCN9A Q15858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CDC7 O00311 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39

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
Hydrochloric Acid SCHEMBL324193 0.99 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPSR1NPY5RSCN9A
SCHEMBL15940580 0.70 CASP1 (0.64) ALDH1A1NPSR1NPY5RSCN9AKDM4E
SCHEMBL3356245 0.65 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPSR1NPY5RSCN9A
SCHEMBL17227738 0.65 ERCC1 (0.46) ALDH1A1SMN1; SMN2NPSR1NPY5RCDC7
SCHEMBL28144523 0.64 SCN9A (0.51) ALDH1A1SCN9AKDM4ECHEK2MAPK1
Hydrochloric Acid SCHEMBL324192 0.64 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPSR1NPY5RSCN9A
SCHEMBL17942866 0.64 HTT (0.50) ALDH1A1NPSR1NPY5RSCN9AKDM4E
SCHEMBL4843377 0.64
SCHEMBL3451175 0.63 HPGD (0.56) ALDH1A1SMN1; SMN2NPSR1SCN9AKDM4E
SCHEMBL3356250 0.63 IDH2 (0.41) ALDH1A1SMN1; SMN2NPSR1KDM4ECDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (2 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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, MTOR ALDH1A1 4352/4885SMN1; SMN2 3551/4885NPSR1 2813/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 ALDH1A1 4473/4885SMN1; SMN2 1352/4885NPSR1 1984/4885

“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.