SCHEMBL3512153

SCHEMBL3512153

COc1c[c]ccc1OCCN1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
LTA4H P09960 2/20 0.37
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APOBEC3A P31941 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MITF O75030 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL3513581 0.94 HRH2 (0.39) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL17181753 0.92 POLB (0.43) POLBLTA4HCYP1A2CHRM2SLC6A4
SCHEMBL2976035 0.82 POLB (0.56) POLBLTA4HCYP1A2TDP1SMN1; SMN2
SCHEMBL3514397 0.81 POLB (0.44) POLBLTA4HTDP1SMN1; SMN2DRD2
SCHEMBL2976094 0.81 POLB (0.55) POLBLTA4HCYP1A2TDP1SMN1; SMN2
SCHEMBL3514630 0.79 SYK (0.54) POLBTDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3513735 0.79 POLB (0.43) POLBLTA4HTDP1MITFSMN1; SMN2
SCHEMBL7451023 0.77 POLB (0.56) POLBLTA4HCYP1A2TDP1SMN1; SMN2
SCHEMBL3515182 0.76 CYP2D6 (0.55) POLBCYP1A2TDP1SMN1; SMN2KDM4E
SCHEMBL4576591 0.76 POLB (0.55) POLBLTA4HCYP1A2TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB POLB 3390/4885LTA4H 2131/4885CYP1A2 836/4885

“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.