SCHEMBL3129194

SCHEMBL3129194

CCC(O)c1ccc(OC)n2nc(C(F)(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.44
PDE3A Q14432 3/20 0.43
PDE2A O00408 1/20 0.38
CCR1 P32246 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2172803 0.74 PDE4B (0.52) PDE4BPDE3AKDM4EALDH1A1L3MBTL1
SCHEMBL2844148 0.71 PDE4B (0.49) PDE4BPDE3AKDM4EALDH1A1L3MBTL1
SCHEMBL2962674 0.71 PDE4B (0.61) PDE4BPDE3APDE2A
SCHEMBL2847047 0.68 PDE4B (0.44) PDE4BPDE3AKDM4EALDH1A1L3MBTL1
SCHEMBL2962471 0.62 PDE4B (0.70) PDE4BPDE3A
SCHEMBL4122533 0.61 PDE4B (1.00) PDE4BPDE3A
SCHEMBL5405135 0.59 PDE2A (0.45) PDE2A
SCHEMBL2255158 0.59 NNMT (0.44) PDE3APDE2A
SCHEMBL21069019 0.58 KDM4E (0.33) KDM4EALDH1A1L3MBTL1
SCHEMBL22357553 0.58 JAK2 (0.36) PDE4BPDE3ACCR1KDM4E

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 3 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
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 8/4885PDE3A 1/4885PDE2A 3/4885

“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.