SCHEMBL17092148

SCHEMBL17092148

NC(=O)c1c(C(=O)C2CC2)nc(-c2ccccc2)nc1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.41
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
PARP1 P09874 3/20 0.38
TSHR P16473 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRB2 P47870 2/20 0.37
HPGDS O60760 2/20 0.36
BTK Q06187 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL17092153 0.80 PLAT (0.46) PLATIKBKBCHUKPARP1PARP2
SCHEMBL5009858 0.74 IKBKB (0.40) PLATIKBKBCHUKPARP1PARP2
SCHEMBL4665017 0.70 IKBKB (0.54) IKBKBCHUKPARP1GABRA1GABRB2
SCHEMBL14048404 0.70 BTK (0.37) PLATTDP1IKBKBCHUKTSHR
SCHEMBL4663358 0.67 IKBKB (0.43) PLATADORA2AADORA1ADORA3IKBKB
SCHEMBL27846473 0.65 TDP1 (0.52) ADORA2AADORA1ADORA3TDP1L3MBTL1
SCHEMBL4665089 0.65 IKBKB (0.48) PLATIKBKBCHUKPARP1PARP2
SCHEMBL4674654 0.64 MEN1 (0.63)
Biphenyl SCHEMBL28463058 0.64 SMN1; SMN2 (0.54) PLATTDP1IKBKBCHUKTSHR
SCHEMBL408318 0.63 KMT2A (0.66) TSHRGABRA1GABRB2GABRG2GABRB3

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC PLAT 4745/4885ADORA2A 512/4885ADORA1 603/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC PLAT 4821/4885ADORA2A 1016/4885ADORA1 703/4885

“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.