SCHEMBL972301

SCHEMBL972301

CSc1nccc(-c2cccnc2Oc2ccc(N=C=S)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEK Q02763 1/20 0.38
APLNR P35414 1/20 0.38
LMNA P02545 1/20 0.37
AURKB Q96GD4 4/20 0.36
AURKA O14965 3/20 0.36
TPX2 Q9ULW0 3/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PDE10A Q9Y233 4/20 0.35

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
SCHEMBL973154 0.86 CCNT1 (0.36) TEKAPLNRLMNAAURKBAURKA
SCHEMBL581233 0.82 AURKB (0.41) TEKLMNAAURKBAURKATPX2
SCHEMBL29891225 0.78 TUBB4A (0.44) TEKLMNACCNT1CCNA2CDK2
SCHEMBL971925 0.77 CCNT1 (0.39) TEKLMNAAURKBAURKATPX2
SCHEMBL972302 0.77 LMNA (0.43) TEKLMNAAURKBAURKATPX2
SCHEMBL2464994 0.74 PDE10A (0.52) APLNRPDE10A
SCHEMBL2458832 0.73 APLNR (0.49) APLNR
SCHEMBL974363 0.70 TEK (0.46) TEKAURKBAURKATPX2
SCHEMBL4668256 0.70 AURKA (0.38) TEKAURKBAURKATPX2PDE10A
SCHEMBL580931 0.69 AURKA (0.77) TEKLMNAAURKBAURKATPX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 TEK 22/4885APLNR 1304/4885LMNA 1829/4885

“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.