SCHEMBL22388786

SCHEMBL22388786

CN1CCN(c2ccc(-n3cc(C(C)(C)C)cn3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MELK Q14680 5/20 0.43
CCNK O75909 1/20 0.42
CCND3 P30281 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
HTR3A P46098 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2C P18825 1/20 0.36
GFER P55789 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
MAP4K1 Q92918 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
SCHEMBL22388788 0.86 CHRNB2 (0.47) HTR3A
SCHEMBL22388787 0.86 MAPT (0.48) MAPTGAAKMT2AMEN1BRD4
SCHEMBL22388781 0.85 MELK (0.58) MELKMAPTGAAKMT2AKDM4E
SCHEMBL22388842 0.81 CYP2D6 (0.43) ALDH1A1
SCHEMBL22388782 0.81 GPR119 (0.48) MAPTKMT2AMEN1ALDH1A1
SCHEMBL16543461 0.74 GCG (0.38) MAPTKDM4EALDH1A1
SCHEMBL11899968 0.73 RAB9A (0.42) MAPTKDM4EALDH1A1
SCHEMBL2733014 0.72 SMN1; SMN2 (0.50) HTR3AMAPTGAAKDM4EALDH1A1
SCHEMBL20085931 0.72 MAPT (0.46) CCNKCCND3CDK9CDK6HTR3A
SCHEMBL26422895 0.72 HDAC4 (0.46) MAPTGAAKDM4EALDH1A1

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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2020-09-03 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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF MKI67, PKD1, ETV6 MELK 2530/4885CCNK 305/4885CCND3 537/4885

“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.