SCHEMBL17109751

SCHEMBL17109751

CC(C)(C)c1cc(Cl)nc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 2/20 0.38
GABRA2 P47869 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
NT5E P21589 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL4703323 0.85 ADORA2A (0.39) GABRB2GABRA2HSP90AA1HSP90AB1ADORA2A
SCHEMBL23920002 0.85 HRH4 (0.40) GABRB2GABRA2KDM4EMAPTGAA
SCHEMBL18861629 0.85 HSP90AA1 (0.43) GABRB2GABRA2HSP90AA1HSP90AB1KDM4E
SCHEMBL6122122 0.85 PDE2A (0.38) GABRB2GABRA2HSP90AA1HSP90AB1ADORA2A
SCHEMBL30946587 0.85 PDE2A (0.38) GABRB2GABRA2HSP90AA1HSP90AB1ADORA2A
SCHEMBL15927343 0.84 GABRA2 (0.49) GABRB2GABRA2GABRA1
SCHEMBL24027425 0.82 ADORA2A (0.33) GABRB2GABRA2HSP90AA1HSP90AB1ADORA2A
SCHEMBL24027518 0.82 GABRA2 (0.35) GABRB2GABRA2HSP90AA1HSP90AB1ADORA2A
SCHEMBL2608422 0.80 GABRA1 (0.42) GABRB2HSP90AA1KDM4EMAPTGAA
SCHEMBL12553824 0.79 KDM4E (0.42) GABRB2GABRA2HSP90AA1HSP90AB1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
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 (3 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 GABRB2 346/4885GABRA2 535/4885HSP90AA1 2808/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC GABRB2 426/4885GABRA2 555/4885HSP90AA1 3054/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 GABRB2 154/4885GABRA2 64/4885HSP90AA1 4381/4885

“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.