SCHEMBL12529444

SCHEMBL12529444

CC(C)(C)c1cc(-c2cccnc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.62
▸ DYRK1B Q9Y463 5/20 0.62
▸ KIF11 P52732 1/20 0.53
▸ DYRK2 Q92630 1/20 0.53
▸ CYP2A6 P11509 8/20 0.50
▸ CYP3A4 P08684 6/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 5/20 0.46
▸ CYP2B6 P20813 5/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP2E1 P05181 4/20 0.45
▸ CYP2D6 P10635 2/20 0.42
▸ AXL P30530 2/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ PBRM1 Q86U86 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PSIP1 O75475 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
SCHEMBL12632147 0.80 KIF11 (0.50) DYRK1ADYRK1BKIF11CYP3A4CYP1A2
SCHEMBL12529424 0.78 HDAC6 (0.43) DYRK1ADYRK1BKIF11CYP2A6ALDH1A1
SCHEMBL26781848 0.78 CYP2A6 (0.36) DYRK1ADYRK1BCYP2A6
SCHEMBL14817175 0.77 DYRK1A (0.68) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL26781853 0.76 HSD17B1 (0.41) KIF11CYP2A6CYP3A4CYP1A2CYP2C9
SCHEMBL7933423 0.74 DYRK1A (0.68) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL7213603 0.74 DYRK1A (0.68) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL12632133 0.74 CYP2A6 (0.58) DYRK1ADYRK1BKIF11CYP2A6CYP3A4
SCHEMBL17540830 0.73 DYRK1A (0.62) DYRK1ADYRK1BKIF11DYRK2CYP2A6
SCHEMBL12531203 0.73 DYRK1A (0.62) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404689-B2 Heterocyclic amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 — — US disclosed
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-06-30 — — US disclosed
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 — — US disclosed
US-7935696-B2 e.g. 5-(4-Chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboxamide; p38 alpha and beta kinase inhibitor; antiinflammatory agent; asthma, inflammatory bowel disease, osteoporosis, psoriasis, graft vs. host rejection, atherosclerosis, multiple myeloma, pain, myocardial ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 — — US disclosed
US-7935696-B2 e.g. 5-(4-Chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboxamide; p38 alpha and beta kinase inhibitor; antiinflammatory agent; asthma, inflammatory bowel disease, osteoporosis, psoriasis, graft vs. host rejection, atherosclerosis, multiple myeloma, pain, myocardial ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 — — US disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 — — US disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 — — 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 (2 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-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 DYRK1A 670/4885DYRK1B 698/4885KIF11 1831/4885
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 DYRK1A 670/4885DYRK1B 698/4885KIF11 1831/4885

“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