SCHEMBL3144947

SCHEMBL3144947

O=c1c(I)c(CCl)nc2ccc(Cl)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.38
PKM P14618 1/20 0.38
SLC2A1 P11166 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PABPC1 P11940 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL3143452 0.87 ALDH1A1 (0.41) FADS1ALDH1A1POLBGAAPARP1
SCHEMBL21772779 0.82 FADS1 (0.40) FADS1ALDH1A1POLBGAAPARP1
SCHEMBL3155115 0.77 KDM4E (0.47) ALDH1A1GAAKDM4EHTT
SCHEMBL6101637 0.76 ALDH1A1 (0.47) ALDH1A1POLBGAASLC2A1MEN1
SCHEMBL22346510 0.74 PABPC1 (0.39) ALDH1A1POLBGAAPARP1SLC2A1
SCHEMBL23456478 0.72 FADS1 (0.41) FADS1ALDH1A1POLBGAAPARP1
SCHEMBL21772792 0.72 ALDH1A1 (0.41) FADS1ALDH1A1POLBGAAPARP1
SCHEMBL6101878 0.70 PABPC1 (0.56) ALDH1A1POLBGAASLC2A1MEN1
SCHEMBL3152080 0.69 PKM (0.56) ALDH1A1POLBGAAPKMKMT2A
SCHEMBL6216870 0.69 ADRA2A (0.52) FADS1ALDH1A1POLBGAAPARP1

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 8 patents. 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-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-1636225-A2 PYRIDINO 1,2-A PYRIMIDIN-4-ONE COMPOUNDS AS ANTICANCER AGENTS Chiron Corporation (US) 2006-03-22 EP 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 (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-20050085490-A1 Pyridino[1,2-a]pyrimidin-4-one compounds as anticancer agents TYMP, DPYD, TK1 FADS1 3303/4885ALDH1A1 290/4885POLB 181/4885

“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.