SCHEMBL2915030

SCHEMBL2915030

CNCC1CNCCCN1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CXCR4 P61073 1/20 0.30

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
SCHEMBL2920814 0.89 SYK (0.37) SYKAURKB
SCHEMBL2918056 0.82 ALDH1A1 (0.36) CYP1A2CXCR4
SCHEMBL2921982 0.77 CYP1A2 (0.32) CYP1A2CXCR4
SCHEMBL2918399 0.77 CXCR4 (0.35) CYP1A2CXCR4
SCHEMBL2918602 0.75 EPHX1 (0.34) CXCR4
SCHEMBL2920630 0.74 CYP1A2 (0.34) CYP1A2CXCR4
SCHEMBL2916571 0.74 CA1 (0.35) CYP1A2CXCR4
SCHEMBL2917918 0.74 CYP2D6 (0.36) SYKAURKB
SCHEMBL2918745 0.74 CYP1A2 (0.31) CYP1A2CXCR4
SCHEMBL959204 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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 (5 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SYK 1595/4885AURKB 4321/4885CYP1A2 89/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 SYK 1912/4885AURKB 3808/4885CYP1A2 63/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 SYK 929/4885AURKB 4219/4885CYP1A2 176/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 SYK 3153/4885AURKB 2255/4885CYP1A2 18/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SYK 981/4885AURKB 3799/4885CYP1A2 292/4885

“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.