SCHEMBL4581941

SCHEMBL4581941

Clc1c[nH]c2nccc(Br)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.49
PRKCI P41743 3/20 0.44
AXL P30530 3/20 0.43
CDK2 P24941 2/20 0.43
CDK9 P50750 2/20 0.43
CDK5 Q00535 2/20 0.43
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPK1 P28482 1/20 0.42
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
CDC42BPA Q5VT25 3/20 0.40
TBK1 Q9UHD2 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40

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
SCHEMBL30543171 1.00 LRRK2 (0.49) LRRK2PRKCIAXLCDK2CDK9
SCHEMBL2237935 0.85 LRRK2 (0.57) LRRK2PRKCIAXLCDK2CDK9
SCHEMBL29544023 0.85 LRRK2 (0.57) LRRK2PRKCIAXLCDK2CDK9
SCHEMBL1036038 0.82 MAPK1 (0.52) LRRK2PRKCIAXLCDK2CDK9
SCHEMBL16785960 0.82 LRRK2 (0.62) LRRK2PRKCIAXLCDK2CDK9
SCHEMBL31541397 0.78 PRKCI (0.46) LRRK2PRKCIAXLCDK2CDK9
SCHEMBL594143 0.78 PRKCI (0.46) LRRK2PRKCIAXLCDK2CDK9
SCHEMBL19932612 0.77 CCNK (0.44) LRRK2PRKCIAXLMAPK1ROCK2
SCHEMBL4583627 0.77 PRKCI (0.44) LRRK2PRKCIAXLCDK2CDK9
SCHEMBL21620550 0.77 LRRK2 (0.49) LRRK2PRKCIAXLCDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
EP-4214199-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO 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-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 LRRK2 787/4885PRKCI 42/4885AXL 2738/4885

“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.