SCHEMBL3155115

SCHEMBL3155115

O=c1c(I)c(CCl)nc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
GLA P06280 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ENPP2 Q13822 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL3155202 0.84 KDM4E (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL10970382 0.83 KDM4E (0.51) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL890546 0.81 KDM4E (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL15558392 0.80 KDM4E (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL3144947 0.77 FADS1 (0.40) KDM4EALDH1A1GAAHTT
SCHEMBL3146184 0.76 MAPK1 (0.43) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8519386 0.76 KMT2A (0.53) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL30402668 0.76 KDM4E (0.51) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL298328 0.75 NPC1 (0.54) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL297730 0.75 ALDH1A1 (0.50) KDM4EALDH1A1GLAGAAMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636225-B1 PYRIDINO 1,2-A PYRIMIDIN-4-ONE COMPOUNDS AS ANTICANCER AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-02-24 EP disclosed
EP-1636225-B1 PYRIDINO 1,2-A PYRIMIDIN-4-ONE COMPOUNDS AS ANTICANCER AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-02-24 EP disclosed
US-7662581-B1 Eg5 co-crystals NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-02-16 US disclosed
US-7662581-B1 Eg5 co-crystals NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-02-16 US disclosed
US-7662581-B1 Eg5 co-crystals NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-02-16 US disclosed
US-20090171082-A1 MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-02 US disclosed
US-20090171082-A1 MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-02 US disclosed
US-20090171082-A1 MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-02 US disclosed
US-7504405-B2 Mitotic kinesin inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-03-17 US disclosed
US-7504405-B2 Mitotic kinesin inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-03-17 US disclosed
US-20080249112-A1 Mitotic Kinesin Inhibitors CHIRON CORPORATION (US) 2008-10-09 US disclosed
US-7326711-B2 Pyridino[1,2-a]pyrimidin-4-one compounds as anticancer agents CHIRON CORPORATION (US) 2008-02-05 US disclosed
US-7326711-B2 Pyridino[1,2-a]pyrimidin-4-one compounds as anticancer agents CHIRON CORPORATION (US) 2008-02-05 US disclosed
US-7326711-B2 Pyridino[1,2-a]pyrimidin-4-one compounds as anticancer agents CHIRON CORPORATION (US) 2008-02-05 US disclosed
EP-1732926-A1 MITOTIC KINESIN INHIBITORS CHIRON CORPORATION (US) 2006-12-20 EP disclosed
EP-1636225-A2 PYRIDINO 1,2-A PYRIMIDIN-4-ONE COMPOUNDS AS ANTICANCER AGENTS Chiron Corporation (US) 2006-03-22 EP disclosed
WO-2005100357-A1 MITOTIC KINESIN INHIBITORS CHIRON CORPORATION (US) 2005-10-27 WO disclosed
US-20050228002-A1 Mitotic kinesin inhibitors CHIRON CORPORATION (US) 2005-10-13 US disclosed
US-20050085490-A1 Pyridino[1,2-a]pyrimidin-4-one compounds as anticancer agents CHIRON CORPORATION 2005-04-21 US disclosed
WO-2004113335-A2 PYRIDINO[1,2-A]PYRIMIDIN-4-ONE COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2004-12-29 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 (4 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-20090171082-A1 MITOTIC KINESIN INHIBITORS KIF5B, KIF2C, KIFC1 KDM4E 818/4885ALDH1A1 2701/4885GLA 2860/4885
US-20050085490-A1 Pyridino[1,2-a]pyrimidin-4-one compounds as anticancer agents TYMP, DPYD, TK1 KDM4E 3300/4885ALDH1A1 290/4885GLA 1932/4885
US-20050228002-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIFC1 KDM4E 818/4885ALDH1A1 2701/4885GLA 2860/4885
US-20080249112-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIFC1 KDM4E 810/4885ALDH1A1 2363/4885GLA 2824/4885

“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.