SCHEMBL26661502

SCHEMBL26661502

C#CCc1c[nH]c2nccc(C(C)(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
CDC42BPB Q9Y5S2 3/20 0.35
CDC42BPA Q5VT25 2/20 0.35
LRRK2 Q5S007 7/20 0.33
GPR84 Q9NQS5 1/20 0.33
CCNT1 O60563 4/20 0.32
CDK9 P50750 4/20 0.32
CDK5 Q00535 4/20 0.32
CDK5R1 Q15078 4/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
MTNR1A P48039 1/20 0.32
JAK3 P52333 1/20 0.31

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
SCHEMBL26661480 0.78 ROCK2 (0.43) JAK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL25527287 0.73 CCNK (0.43) JAK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24656161 0.73 JAK2 (0.38) JAK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26661493 0.72 AXL (0.43) JAK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26661492 0.72 LRRK2 (0.45) JAK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26719943 0.72 ROCK2 (0.61) ROCK2ROCK1CDC42BPBCDC42BPALRRK2
SCHEMBL26661482 0.71 JAK2 (0.36) JAK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26661494 0.70 HTR5A (0.35) JAK2ROCK2ROCK1CDC42BPBLRRK2
SCHEMBL26773875 0.66 IRAK4 (0.37) JAK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26661499 0.65 JAK2 (0.40) JAK2

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 1 patent. 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

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 JAK2 420/4885ROCK2 958/4885ROCK1 516/4885

“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.