SCHEMBL3124702

SCHEMBL3124702

COc1ccc(-c2ccc(=O)[nH]n2)c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.49
PDE4A P27815 5/20 0.49
PDE4C Q08493 5/20 0.49
PDE4D Q08499 5/20 0.49
PDE3A Q14432 4/20 0.43
PDE3B Q13370 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL13448272 0.83 MEN1 (0.43) PDE3APDE3BLMNACYP1A2SMN1; SMN2
SCHEMBL3126336 0.80 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL3109997 0.77 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL3122136 0.77 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL3126364 0.76 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL3124663 0.74 G6PD (0.44) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL2172288 0.72 GLO1 (0.43) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL1506959 0.72 HTR1A (0.53) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL8041159 0.72 CKS1B (0.52) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL2170616 0.72 BTK (0.42) PDE4BPDE4APDE4CPDE4DHPGD

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-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A PDE4B 8/4885PDE4A 6/4885PDE4C 10/4885

“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.