SCHEMBL13242529

SCHEMBL13242529

CC(C)c1cn(CCN2CCOCC2)nn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
SIGMAR1 Q99720 6/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL13453646 0.90 HRH4 (0.37) FLT3SIGMAR1ALDH1A1HRH4HRH3
SCHEMBL13469513 0.83 DPP4 (0.36) FLT3SIGMAR1HRH4HRH3
SCHEMBL19732396 0.79 FLT3 (0.49) FLT3SIGMAR1KDM4EALDH1A1HRH4
SCHEMBL23318249 0.78 HRH3 (0.51) SIGMAR1ALDH1A1IRAK4HRH4HRH3
SCHEMBL19732400 0.76 SMN1; SMN2 (0.48) KDM4EALDH1A1IRAK4SMN1; SMN2
SCHEMBL15133214 0.75 NR5A2 (0.45) SIGMAR1ALDH1A1HRH3
SCHEMBL19726585 0.75 FLT3 (0.46) FLT3SIGMAR1HRH4HRH3SMN1; SMN2
SCHEMBL19400545 0.74 HRH4 (0.35) IRAK4HRH4HRH3
SCHEMBL13453642 0.74 SMPD1 (0.41) HRH4HRH3
SCHEMBL23318555 0.74 KMT2A (0.35) KDM4EALDH1A1HRH4HRH3SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 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 (3 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS FLT3 1327/4885SIGMAR1 978/4885KDM4E 1288/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS FLT3 1327/4885SIGMAR1 978/4885KDM4E 1288/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC FLT3 196/4885SIGMAR1 4423/4885KDM4E 728/4885

“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.