SCHEMBL12596036

SCHEMBL12596036

Cc1cc(-c2ccc(=O)[nH]n2)ccc1-n1ccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.64
▸ PDE3A Q14432 9/20 0.64
▸ LMNA P02545 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PDE4A P27815 4/20 0.45
▸ PDE4B Q07343 4/20 0.45
▸ PDE4C Q08493 4/20 0.45
▸ PDE4D Q08499 4/20 0.45
▸ PDE2A O00408 2/20 0.44
▸ CYP1A2 P05177 2/20 0.40
▸ ADH5 P11766 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39

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
SCHEMBL12648802 0.82 PDE3B (0.60) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7280366 0.79 PDE3B (1.00) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7287713 0.77 PDE3B (0.71) PDE3BPDE3AMEN1KMT2APDE4A
SCHEMBL10553489 0.75 PDE3B (0.69) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL12595816 0.75 LMNA (0.51) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL12595891 0.75 TP53 (0.63) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL12595727 0.75 LMNA (0.66) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL12595747 0.74 LMNA (0.50) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL12595833 0.74 LMNA (0.50) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL12595836 0.74 LMNA (0.50) PDE3BPDE3ALMNAMEN1KMT2A

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-8501731-B2 Derivatives of 6[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one having antitumor activity SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-06 — — US disclosed
US-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2011-05-12 — — US 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-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF PDXK, PNPO, HCCS PDE3B 3200/4885PDE3A 3115/4885LMNA 109/4885

“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.

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