SCHEMBL17911326

SCHEMBL17911326

CC(C)c1nnc(-c2cccc(NC(=O)c3cnc4c(Nc5ccccc5)cc(NC5CCC(N)CC5)nn34)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 16/20 0.48
▸ CDK2 P24941 16/20 0.48
▸ FLT3 P36888 16/20 0.48
▸ KIT P10721 1/20 0.48
▸ TYK2 P29597 4/20 0.48
▸ PDE4D Q08499 1/20 0.42

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
SCHEMBL16531923 1.00 CCNE1 (0.48) CCNE1CDK2FLT3KITTYK2
SCHEMBL16531903 0.93 TYK2 (0.45) CCNE1CDK2FLT3KITTYK2
SCHEMBL17911311 0.93 TYK2 (0.45) CCNE1CDK2FLT3KITTYK2
SCHEMBL16531911 0.88 PIM1 (0.51) CDK2
SCHEMBL17911320 0.88 PIM1 (0.51) CDK2
SCHEMBL16531918 0.84 TYK2 (0.51) CCNE1CDK2FLT3KITTYK2
SCHEMBL17911323 0.84 TYK2 (0.51) CCNE1CDK2FLT3KITTYK2
SCHEMBL3721026 0.84 TYK2 (0.64) CCNE1CDK2FLT3KITTYK2
SCHEMBL3721030 0.84 TYK2 (0.64) CCNE1CDK2FLT3KITTYK2
SCHEMBL16531907 0.83 TYK2 (0.48) CCNE1CDK2FLT3KITTYK2

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 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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