SCHEMBL17092153

SCHEMBL17092153

NC(=O)c1c(C(=O)C2CC2)nc(C2CCNCC2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.46
BTK Q06187 3/20 0.39
GABRA1 P14867 4/20 0.39
GABRB2 P47870 3/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
PARP1 P09874 6/20 0.38
PARP2 Q9UGN5 1/20 0.38
RORC P51449 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17092148 0.80 PLAT (0.41) PLATBTKGABRA1GABRB2IKBKB
SCHEMBL5787073 0.68 ALDH1A1 (0.54) GABRA1GABRB2RORCMEN1GAA
Hydrochloric Acid SCHEMBL5785892 0.67 ALDH1A1 (0.52) GABRA1GABRB2RORCMEN1GAA
SCHEMBL16597770 0.66 BTK (0.50) BTKGABRA1GABRG2GABRB3
Biphenyl SCHEMBL28463058 0.64 SMN1; SMN2 (0.54) PLATGABRA1GABRB2IKBKBCHUK
SCHEMBL15647257 0.63 PRMT5 (0.42) GABRA1GABRB2IKBKBCHUKPARP1
SCHEMBL1428165 0.62 NR1H2 (0.47) GABRA1GABRB2MEN1KMT2A
SCHEMBL17857656 0.62 PARP1 (0.50) PARP1PARP2
SCHEMBL4664929 0.62 IKBKB (0.65) BTKIKBKBCHUK
SCHEMBL17837506 0.62 PARP1 (0.41) PLATBTKPARP1PARP2

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 4745/4885BTK 2343/4885GABRA1 482/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC PLAT 4821/4885BTK 2023/4885GABRA1 444/4885

“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.