SCHEMBL3672555

SCHEMBL3672555

COc1ccc2cnn(-c3ccccc3Cl)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.47
PDE2A O00408 7/20 0.47
PDE6D O43924 1/20 0.43
PDE6A P16499 1/20 0.43
PDE6G P18545 1/20 0.43
PDE6B P35913 1/20 0.43
PDE6C P51160 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE6H Q13956 1/20 0.43
PDE3A Q14432 1/20 0.43
KCNN4 O15554 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
PDE9A O76083 6/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PDE5A O76074 4/20 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
SCHEMBL11650747 0.66 FLT3 (0.46) PDE10APDE2AKCNN4ALDH1A1LMNA
SCHEMBL16981667 0.66 ALDH1A1 (0.47) PDE10APDE2AALDH1A1LMNASMN1; SMN2
SCHEMBL3669160 0.66 MAPK14 (0.45) ALDH1A1LMNASMN1; SMN2GAAPKM
SCHEMBL12694151 0.65 PKM (0.46) KCNN4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4130589 0.64 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3672553 0.64 HCAR1 (0.58)
SCHEMBL2786952 0.64 ALDH1A1 (0.48) PDE10AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL28766407 0.64 NPC1 (0.63) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL5365464 0.63 MTNR1A (0.46)
SCHEMBL12912134 0.63 BCHE (0.38) PDE10APDE2AKCNN4SMN1; SMN2PKM

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-7846944-B2 Pyrazolo-pyridinone compounds and methods of use thereof AMGEN INC. (US) 2010-12-07 US disclosed
EP-2152704-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE Amgen, Inc (US) 2010-02-17 EP disclosed
US-20090012299-A1 Pyrazolo-pyridinone compounds and methods of use thereof AMGEN INC. (US) 2009-01-08 US disclosed
WO-2008137176-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 2008-11-13 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-20090012299-A1 Pyrazolo-pyridinone compounds and methods of use thereof MAPK1, MAP3K1, MAP4K2 PDE10A 920/4885PDE2A 477/4885PDE6D 945/4885

“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.