SCHEMBL12245704

SCHEMBL12245704

CN(C)CCNc1nccc2c(-c3ccc4cc(NC(=O)c5ccsc5)ccc4c3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.38
▸ CSNK2A1 P68400 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ BRAF P15056 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DGAT1 O75907 1/20 0.36

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
SCHEMBL2381166 0.95 TERT (0.39) KCNK3KCNK9AXLROCK2ROCK1
SCHEMBL14639945 0.90 KCNK3 (0.40) KCNK3KCNK9AXLTNIKMAPK14
SCHEMBL2379747 0.86 HDAC2 (0.44) AXLHDAC2KMT2A
SCHEMBL2381797 0.81 KMT2A (0.41) AXLHDAC2KMT2A
SCHEMBL14605010 0.74 RAD52 (0.37) KMT2A
SCHEMBL14605011 0.74 RAD52 (0.37) KMT2A
SCHEMBL2380299 0.72 ABL1 (0.52) KCNK3KCNK9CSNK2A1ROCK2ROCK1
SCHEMBL2383216 0.71 ABL1 (0.48) KCNK3KCNK9MAPK14
SCHEMBL2381767 0.69 KCNK3 (0.47) KCNK3KCNK9TNIKMAPK14KMT2A
SCHEMBL2380902 0.69 KDR (0.50) KCNK3KCNK9AXLCSNK2A1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017601-B2 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2011-09-13 — — US disclosed
US-8017601-B2 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2011-09-13 — — US disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 — — US disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 — — 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-20070054903-A1 Bis-aryl kinase inhibitors and method HGF, MET, BLK KCNK3 1810/4885KCNK9 2541/4885AXL 289/4885

“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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