SCHEMBL3337074

SCHEMBL3337074

CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.63
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HCAR1 Q9BXC0 1/20 0.53
PTGS2 P35354 2/20 0.49
PDE7B Q9NP56 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ATM Q13315 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL9954543 0.88 ALDH1A1 (0.58) PDE7ALMNAALDH1A1SMN1; SMN2HCAR1
SCHEMBL29832076 0.86 PDE7A (0.66) PDE7ALMNAHCAR1PTGS2PDE7B
SCHEMBL290297 0.86 PDE7A (0.66) PDE7ALMNAHCAR1PTGS2PDE7B
SCHEMBL1101917 0.85 LMNA (0.72) PDE7ALMNAALDH1A1SMN1; SMN2PTGS2
SCHEMBL9954930 0.84 POLB (0.58) PDE7ALMNAALDH1A1SMN1; SMN2PTGS2
SCHEMBL19487245 0.83 LMNA (0.77) PDE7ALMNAALDH1A1SMN1; SMN2HCAR1
SCHEMBL290341 0.82 PDE7A (0.71) PDE7ALMNAALDH1A1SMN1; SMN2PTGS2
SCHEMBL4207211 0.80 PDE7A (0.58) PDE7ALMNAALDH1A1PTGS2ATM
SCHEMBL9953980 0.79 ATM (0.51) PDE7AALDH1A1HCAR1PTGS2ATM
SCHEMBL9670140 0.79 MEN1 (0.51) PDE7AALDH1A1SMN1; SMN2PTGS2ATM

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-20100152213-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-06-17 US claimed
EP-2130823-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Consejo Superior De Investigaciones Científicas (ES) 2009-12-09 EP claimed
US-20100152213-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-06-17 US disclosed
US-20100152213-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-06-17 US 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-20100152213-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PDE4B, PDE7B, PDE12 PDE7A 6/4885LMNA 4336/4885ALDH1A1 826/4885

“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.