SCHEMBL3224779

SCHEMBL3224779

CCOc1ccc(C(=O)O)c2cc(C(F)F)nn12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.49
PDE3A Q14432 1/20 0.39
TP53 P04637 2/20 0.38
NOTUM Q6P988 1/20 0.38
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CAMKK1 Q8N5S9 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
ALPL P05186 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3218350 0.86 PDE4B (0.64) PDE4BPDE3A
SCHEMBL2960313 0.78 PDE4B (0.60) PDE4BPDE3A
SCHEMBL3218877 0.75 PDE4B (0.62) PDE4BPDE3A
SCHEMBL4126998 0.73 PDE4B (0.64) PDE4BPDE3A
SCHEMBL4123441 0.70 PDE4B (0.70) PDE4BPDE3ASMN1; SMN2NPC1RAB9A
SCHEMBL2960864 0.69 PDE4B (0.63) PDE4BPDE3A
SCHEMBL3226510 0.68 PDE4B (0.50) PDE4BPDE3A
SCHEMBL4127292 0.68 PDE4B (0.53) PDE4BPDE3AALDH1A1HPGDSMN1; SMN2
SCHEMBL4114885 0.68 PDE4B (0.72) PDE4B
SCHEMBL3222862 0.66 PDE4B (0.51) PDE4BPDE3A

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 2 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
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 (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-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A PDE4B 9/4885PDE3A 2/4885TP53 4827/4885

“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.