SCHEMBL17911313

SCHEMBL17911313

CNc1cc(NC2CCC(N)CC2)nn2c(C(=O)Nc3cccc(-c4noc(C(C)C)n4)c3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.46
▸ PDE4D Q08499 4/20 0.46
▸ CCNE1 P24864 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ FLT3 P36888 3/20 0.41
▸ AAK1 Q2M2I8 1/20 0.39
▸ KIT P10721 1/20 0.38

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
SCHEMBL16531921 1.00 TYK2 (0.46) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL17911316 0.93 TYK2 (0.49) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL16531922 0.93 TYK2 (0.49) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL16515658 0.87 FYN (0.49) AAK1
SCHEMBL16531912 0.87 FYN (0.49) AAK1
SCHEMBL17911317 0.84 TYK2 (0.47) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL16531905 0.84 TYK2 (0.47) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL17911311 0.82 TYK2 (0.45) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL16531903 0.82 TYK2 (0.45) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL16515728 0.81 HAVCR2 (0.36) TYK2CCNE1CDK2FLT3AAK1

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 TYK2 405/4885PDE4D 1890/4885CCNE1 4276/4885

“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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