SCHEMBL17920862

SCHEMBL17920862

CC(C)c1nc(-c2cccc(C(C)(C)C)c2)co1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.44
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 1/20 0.40
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 2/20 0.37
▸ ENPP3 O14638 2/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ CYP26B1 Q9NR63 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ ABCG2 Q9UNQ0 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
SCHEMBL17920863 0.80 ENPP3 (0.56) KIF11CTSSCTSKRXRARXRB
SCHEMBL17922235 0.80 ENPP3 (0.56) ENPP3SCN9AACHE
SCHEMBL16515606 0.79 TSHR (0.45) ENPP3MEN1KMT2A
SCHEMBL17920867 0.78 ENPP3 (0.51) KIF11CTSSCTSKRXRARXRB
SCHEMBL10052155 0.77 ENPP3 (0.45) ENPP3ADRB2ADRB1ADRB3MEN1
SCHEMBL24910223 0.74 CTSS (0.37) CTSSCTSKRXRARXRBADRB2
SCHEMBL17920861 0.73 KIF11 (0.47) KIF11
SCHEMBL3623071 0.73 KIF11 (0.58) KIF11CTSSCTSKRXRARXRB
SCHEMBL16515602 0.73 MAPT (0.48) KEAP1NFE2L2ACHE
SCHEMBL30866482 0.73 MAPT (0.48) KEAP1NFE2L2ACHE

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 1 patent. 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

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 KIF11 2117/4885CTSS 4662/4885CTSK 1379/4885

“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.

Send feedback