SCHEMBL17665083

SCHEMBL17665083

COc1cc(C)ccc1N1CCN(CC(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
DRD2 P14416 4/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 2/20 0.44
IGF1R P08069 1/20 0.43

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
SCHEMBL17660581 0.85 IGF1R (0.47) KMT2AMEN1DRD2HTR1AADRA1A
SCHEMBL17631613 0.85 NR4A1 (0.46) KMT2AMEN1MAPTDRD2HTR1A
SCHEMBL16440197 0.85 MEN1 (0.55) KMT2AMEN1TP53MAPTDRD2
SCHEMBL20878000 0.83 NPC1 (0.49) KMT2AMAPTDRD2HTR1AMAPK1
SCHEMBL16440177 0.82 DRD2 (0.50) KMT2AMEN1TP53MAPTDRD2
SCHEMBL17631076 0.80 LMNA (0.56) MAPTDRD2HTR1AHTR2AMAPK1
SCHEMBL16440171 0.79 DRD2 (0.55) KMT2AMEN1DRD2HTR1AHTR2A
SCHEMBL12082468 0.77 DRD2 (0.62) KMT2AMEN1MAPTDRD2HTR1A
SCHEMBL8342531 0.77 ALDH1A1 (0.61) KMT2AMEN1MAPTDRD2HTR1A
SCHEMBL8828454 0.77 DRD2 (0.56) KMT2AMEN1DRD2HTR1AHTR2A

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
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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 (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-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS KMT2A 1865/4885MEN1 3091/4885TP53 163/4885

“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.