SCHEMBL16531920

SCHEMBL16531920

Cc1nc(-c2cccc(NC(=O)c3cnc4c(Nc5ccccc5)cc(N[C@H]5CC[C@H](N)CC5)nn34)c2)cs1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 12/20 0.49
▸ CDK2 P24941 12/20 0.49
▸ FLT3 P36888 12/20 0.49
▸ TYK2 P29597 5/20 0.49
▸ KIT P10721 1/20 0.49
▸ MAPT P10636 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SYK P43405 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
SCHEMBL17911314 1.00 CCNE1 (0.49) CCNE1CDK2FLT3TYK2KIT
SCHEMBL16531917 0.87 TYK2 (0.49) CCNE1CDK2FLT3TYK2KIT
SCHEMBL17911319 0.87 TYK2 (0.49) CCNE1CDK2FLT3TYK2KIT
SCHEMBL16531926 0.85 TYK2 (0.50) CCNE1CDK2FLT3TYK2KIT
SCHEMBL17911322 0.85 TYK2 (0.50) CCNE1CDK2FLT3TYK2KIT
SCHEMBL3721030 0.85 TYK2 (0.64) CCNE1CDK2FLT3TYK2KIT
SCHEMBL3721026 0.85 TYK2 (0.64) CCNE1CDK2FLT3TYK2KIT
SCHEMBL16531907 0.84 TYK2 (0.48) CCNE1CDK2FLT3TYK2KIT
SCHEMBL17911315 0.84 TYK2 (0.48) CCNE1CDK2FLT3TYK2KIT
SCHEMBL3775723 0.83 TYK2 (0.58) CCNE1CDK2FLT3TYK2KIT

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 CCNE1 4276/4885CDK2 768/4885FLT3 3497/4885

“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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