SCHEMBL16531912

SCHEMBL16531912

CC(C)c1nc(-c2cccc(NC(=O)c3cnc4ccc(N[C@H]5CC[C@H](N)CC5)nn34)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.49
▸ PIM1 P11309 9/20 0.47
▸ IRAK4 Q9NWZ3 7/20 0.41
▸ AAK1 Q2M2I8 1/20 0.41
▸ KCNH2 Q12809 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
SCHEMBL16515658 1.00 FYN (0.49) FYNPIM1IRAK4AAK1KCNH2
SCHEMBL16531922 0.87 TYK2 (0.49) AAK1
SCHEMBL17911316 0.87 TYK2 (0.49) AAK1
SCHEMBL16531921 0.87 TYK2 (0.46) AAK1
SCHEMBL17911313 0.87 TYK2 (0.46) AAK1
SCHEMBL16531913 0.87 FYN (0.49) FYNPIM1IRAK4KCNH2
SCHEMBL16515738 0.87 FYN (0.49) FYNPIM1IRAK4KCNH2
SCHEMBL16516014 0.84 FYN (0.49) FYNPIM1IRAK4AAK1KCNH2
SCHEMBL16531915 0.84 FYN (0.49) FYNPIM1IRAK4AAK1KCNH2
SCHEMBL17911320 0.82 PIM1 (0.51) FYNPIM1AAK1KCNH2

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-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
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
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
WO-2015026574-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 COMPANY (US) 2015-02-26 — — 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-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 1123/4885IRAK4 335/4885

“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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