SCHEMBL12225554

SCHEMBL12225554

COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 1.00

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
SCHEMBL12225558 0.96 KIF11 (1.00) KIF11
SCHEMBL12225499 0.95 KIF11 (0.91) KIF11
SCHEMBL12225502 0.91 KIF11 (0.91) KIF11
SCHEMBL76162 0.89 KIF11 (0.88) KIF11
SCHEMBL74610 0.89 KIF11 (0.88) KIF11
SCHEMBL76163 0.89 KIF11 (0.88) KIF11
SCHEMBL74609 0.89 KIF11 (0.88) KIF11
SCHEMBL77150 0.89 KIF11 (0.88) KIF11
SCHEMBL74019 0.89 KIF11 (0.80) KIF11
SCHEMBL75785 0.89 KIF11 (0.80) KIF11

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-20140056880-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2014-02-27 US disclosed
US-20140056880-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8546434-B2 Triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2013-10-01 US disclosed
US-8546434-B2 Triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2013-10-01 US disclosed
WO-2011128381-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-10-20 WO disclosed
US-20110256128-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-10-20 US disclosed
US-20110256128-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-10-20 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-20110256128-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP17A1, CYP51A1, KLKB1 KIF11 101/4885
US-20140056880-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP17A1, CYP51A1, KLKB1 KIF11 101/4885

“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.