SCHEMBL3225282

SCHEMBL3225282

COc1ccc(CO)c2c(C(=O)O)c(C(C)C)nn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
PDE4B Q07343 8/20 0.33
PDE3A Q14432 3/20 0.33
PDE4D Q08499 2/20 0.33
PDE5A O76074 2/20 0.33
MIF P14174 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3217747 0.84 KMT2A (0.40) ATMMEN1KMT2AALDH1A1KDM4E
SCHEMBL3218428 0.81 PDE4B (0.32) ATMMEN1KMT2AKDM4EMAPT
SCHEMBL3207536 0.79 PDE4D (0.39) ATMMEN1KMT2AKDM4EMAPT
SCHEMBL4371806 0.75 PDE4D (0.33) KDM4EMAPTLMNAHPGDPDE4D
SCHEMBL3207493 0.72 MEN1 (0.37) MEN1KMT2APDE4D
SCHEMBL3222747 0.71 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2970372 0.71 PDE4B (0.65) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3222801 0.71 PDE4D (0.41) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL3219443 0.68 PLAT (0.43) ALDH1A1KDM4EMAPTPOLBHPGD
SCHEMBL3219095 0.68 PDE4B (0.51) PDE4BPDE3APDE5ANPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
EP-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 EP disclosed
EP-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 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 (2 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-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient PDE3A, PDE5A, PDE3B ATM 2044/4885MEN1 3564/4885KMT2A 1702/4885
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A ATM 2389/4885MEN1 3528/4885KMT2A 1727/4885

“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.