SCHEMBL17911308

SCHEMBL17911308

NC1CCC(Nc2ccc3ncc(C(=O)Nc4cccc(-c5coc(-c6ccccc6)n5)c4)n3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.49
▸ PIM1 P11309 14/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ NTRK1 P04629 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL16531919 1.00 FYN (0.49) FYNPIM1MKNK1KCNH2NTRK1
SCHEMBL17911327 0.90 FYN (0.51) FYNPIM1MKNK1KCNH2IRAK4
SCHEMBL16531916 0.90 FYN (0.51) FYNPIM1MKNK1KCNH2IRAK4
SCHEMBL17911322 0.88 TYK2 (0.50) —
SCHEMBL16531926 0.88 TYK2 (0.50) —
SCHEMBL16531913 0.88 FYN (0.49) FYNPIM1MKNK1KCNH2IRAK4
SCHEMBL16515738 0.88 FYN (0.49) FYNPIM1MKNK1KCNH2IRAK4
SCHEMBL16531917 0.80 TYK2 (0.49) —
SCHEMBL17911319 0.80 TYK2 (0.49) —
SCHEMBL16531912 0.79 FYN (0.49) FYNPIM1KCNH2IRAK4

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-20160199372-A1 IMIDAZOPYRIDAZINE KINASE INHIBITORS USEFUL TO TREATING A DISEASE OR DISORDER MEDIATED BY AAK1, SUCH AS ALZHEIMER'S DISEASE, BIPOLAR DISORDER, PAIN, SCHIZOPHRENIA BRISTOL MYERS SQUIBB CO (US) 2016-07-14 — — US claimed
US-20160199372-A1 IMIDAZOPYRIDAZINE KINASE INHIBITORS USEFUL TO TREATING A DISEASE OR DISORDER MEDIATED BY AAK1, SUCH AS ALZHEIMER'S DISEASE, BIPOLAR DISORDER, PAIN, SCHIZOPHRENIA BRISTOL MYERS SQUIBB CO (US) 2016-07-14 — — 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-20160199372-A1 IMIDAZOPYRIDAZINE KINASE INHIBITORS USEFUL TO TREATING A DISEASE OR DISORDER MEDIATED BY AAK1, SUCH AS ALZHEIMER'S DISEASE, BIPOLAR DISORDER, PAIN, SCHIZOPHRENIA AAK1, DAPK1, DAPK2 FYN 123/4885PIM1 1123/4885MKNK1 33/4885

“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.

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