SCHEMBL16515728

SCHEMBL16515728

COc1ccc(CN(c2ccccc2)c2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4cccc(-c5noc(C(C)C)n5)c4)cnc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 4/20 0.36
▸ AAK1 Q2M2I8 2/20 0.35
▸ CCNE1 P24864 4/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ FLT3 P36888 4/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL17911324 1.00 HAVCR2 (0.36) HAVCR2AAK1CCNE1CDK2FLT3
SCHEMBL16515648 0.86 HAVCR2 (0.40) HAVCR2AAK1MEN1KMT2AMAPT
SCHEMBL16531922 0.83 TYK2 (0.49) AAK1CCNE1CDK2FLT3TYK2
SCHEMBL17911316 0.83 TYK2 (0.49) AAK1CCNE1CDK2FLT3TYK2
SCHEMBL3026837 0.82 TYK2 (0.47) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3026839 0.82 TYK2 (0.47) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL16531921 0.81 TYK2 (0.46) AAK1CCNE1CDK2FLT3TYK2
SCHEMBL17911313 0.81 TYK2 (0.46) AAK1CCNE1CDK2FLT3TYK2
SCHEMBL16531912 0.78 FYN (0.49) AAK1PIM1
SCHEMBL16515658 0.78 FYN (0.49) AAK1PIM1

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 3 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 disclosed
EP-3035921-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) 2016-06-29 — — EP 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 HAVCR2 4384/4885AAK1 1/4885CCNE1 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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