SCHEMBL1849841

SCHEMBL1849841

Cn1cc(-c2c[nH]c3ncc(-c4ccccc4)nc23)cn1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 0.80
CREBBP Q92793 1/20 0.50
ALK Q9UM73 1/20 0.49
JAK3 P52333 1/20 0.47
MAP4K1 Q92918 1/20 0.47

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
SCHEMBL15652768 0.89 MAPK1 (1.00) MAPK1CREBBPJAK3
SCHEMBL15653387 0.87 MAPK1 (0.75) MAPK1CREBBPJAK3
SCHEMBL15653554 0.86 MAPK1 (0.76) MAPK1ALK
SCHEMBL21592513 0.83 MAPK1 (0.69) MAPK1CREBBPJAK3MAP4K1
SCHEMBL10141887 0.82 MAPK1 (0.68) MAPK1CREBBPJAK3MAP4K1
SCHEMBL19657316 0.81 MAPK1 (0.67) MAPK1CREBBPALKJAK3
SCHEMBL2731192 0.80 MAPK1 (0.56) MAPK1ALK
SCHEMBL19657749 0.79 MAPK1 (0.64) MAPK1CREBBPALKJAK3
SCHEMBL21592460 0.79 MAP4K1 (0.67) MAPK1CREBBPMAP4K1
SCHEMBL2733285 0.79 MAPK1 (0.59) MAPK1ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529952-A 2011-12-15 JP claimed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US claimed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 WO claimed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
EP-2324021-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2011-05-25 EP disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 MAPK1 21/4885CREBBP 359/4885ALK 307/4885

“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.