SCHEMBL22822285

SCHEMBL22822285

Cn1cc(-c2c[nH]c3ncc(C(C)(C)C)nc23)cn1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.61
CREBBP Q92793 2/20 0.49
JAK3 P52333 2/20 0.48
LRRK2 Q5S007 6/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
PDPK1 O15530 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
ALK Q9UM73 1/20 0.41

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
SCHEMBL21024073 0.88 MAPK1 (0.60) MAPK1CREBBPJAK3LRRK2ROCK2
SCHEMBL19657316 0.83 MAPK1 (0.67) MAPK1CREBBPJAK3LRRK2ROCK2
SCHEMBL19657749 0.81 MAPK1 (0.64) MAPK1CREBBPJAK3LRRK2ROCK2
SCHEMBL1849841 0.77 MAPK1 (0.80) MAPK1CREBBPJAK3ALK
SCHEMBL15652768 0.76 MAPK1 (1.00) MAPK1CREBBPJAK3
SCHEMBL31060275 0.75 MAPK1 (0.60) MAPK1CREBBPJAK3LRRK2ROCK2
SCHEMBL1848809 0.75 MAPK1 (0.60) MAPK1CREBBPJAK3LRRK2ROCK2
SCHEMBL10141887 0.73 MAPK1 (0.68) MAPK1CREBBPJAK3
SCHEMBL15653387 0.72 MAPK1 (0.75) MAPK1CREBBPJAK3
SCHEMBL21592513 0.71 MAPK1 (0.69) MAPK1CREBBPJAK3

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-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 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-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 MAPK1 909/4885CREBBP 7/4885JAK3 2120/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 MAPK1 753/4885CREBBP 6/4885JAK3 2121/4885

“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.