SCHEMBL4065455

SCHEMBL4065455

COc1cc(Cl)c(C=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
ERN1 O75460 8/20 0.47
HPGD P15428 4/20 0.45
GAA P10253 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PRKDC P78527 2/20 0.44
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38

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
SCHEMBL19628273 0.92 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL1049563 0.86 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL28938618 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL15054285 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL18232228 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL1534470 0.82 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL282147 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL8188243 0.80 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL3223568 0.79 PRKDC (0.56) ALDH1A1KDM4ETDP1TSHRERN1
SCHEMBL22560912 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1TSHRERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB ALDH1A1 948/4885KDM4E 866/4885TDP1 1644/4885

“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.