SCHEMBL20319082

SCHEMBL20319082

CC(C)(C)Nc1nccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CCR1 P32246 3/20 0.47
CCR5 P51681 3/20 0.47
CCR8 P51685 3/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL14088964 0.79 LMNA (0.52) MAPTKDM4ECCR1CCR5CCR8
SCHEMBL2622211 0.76 CYP2A6 (0.50) LMNATSHRTP53CYP3A4SMN1; SMN2
SCHEMBL2622219 0.76 HTT (0.56) MAPTKDM4ECCR1CCR5CCR8
SCHEMBL24005894 0.75 CCR1 (0.47) MAPTKDM4ECCR1CCR5CCR8
SCHEMBL22428821 0.73 CCR1 (0.40) MAPTKDM4ECCR1CCR5CCR8
SCHEMBL31039477 0.73 RAB9A (0.53) MAPTKDM4EALOX15HTTSMN1; SMN2
SCHEMBL4560912 0.73 RAB9A (0.53) MAPTKDM4EALOX15HTTSMN1; SMN2
SCHEMBL28236574 0.73 KDM4E (0.48) MAPTKDM4ECCR1CCR5CCR8
SCHEMBL21879255 0.72 TDP1 (0.45) MAPTKDM4ELMNATDP1TSHR
SCHEMBL22411319 0.72 LMNA (0.44) MAPTKDM4ELMNATDP1MMP2

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-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 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-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 MAPT 3835/4885KDM4E 1970/4885CCR1 46/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 MAPT 3835/4885KDM4E 1970/4885CCR1 46/4885

“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.