SCHEMBL20458023

SCHEMBL20458023

COc1cc(C(C)C)ccc1N1CCC(N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.47
FLT3 P36888 4/20 0.42
HIF1A Q16665 2/20 0.41
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
ACHE P22303 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALK Q9UM73 2/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
CIT O14578 1/20 0.39
AURKA O14965 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
BUB1 O43683 1/20 0.39
SNRNP200 O75643 1/20 0.39
STK16 O75716 1/20 0.39
STK10 O94804 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
SCHEMBL26484667 0.91 SMN1; SMN2 (0.46) SMN1; SMN2DRD3ALDH1A1KDM4EFGFR3
SCHEMBL26406701 0.88 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4EFGFR3HTT
SCHEMBL17660614 0.87 CCR4 (0.44) SMN1; SMN2HRH3ALDH1A1KDM4EL3MBTL1
SCHEMBL15703095 0.87 HIF1A (0.51) HIF1AACHESMN1; SMN2DRD3ALDH1A1
SCHEMBL14924073 0.85 KDM2B (0.48) KDM2BSMN1; SMN2CDK4ALDH1A1KDM4E
SCHEMBL17642601 0.85 SMPD3 (0.44) FLT3EHMT2EHMT1SMPD3SMN1; SMN2
SCHEMBL14924072 0.85 KDM2B (0.51) KDM2BSMN1; SMN2ALKALDH1A1KDM4E
SCHEMBL17631428 0.84 GAA (0.47) FLT3EHMT2EHMT1SMPD3SMN1; SMN2
SCHEMBL17306128 0.83 ALDH1A1 (0.54) KDM2BSMN1; SMN2DRD3ALDH1A1KDM4E
SCHEMBL17660577 0.82 DRD2 (0.43) SMN1; SMN2DRD3ALDH1A1KDM4ERECQL

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-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 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-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS KDM2B 2165/4885FLT3 839/4885HIF1A 2431/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS KDM2B 2165/4885FLT3 839/4885HIF1A 2431/4885

“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.