SCHEMBL12648802

SCHEMBL12648802

O=c1ccc(-c2ccc(-n3ccnc3)c(C(F)(F)F)c2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.60
▸ PDE3A Q14432 6/20 0.60
▸ LMNA P02545 3/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ PMP22 Q01453 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ KDR P35968 1/20 0.44
▸ PDE2A O00408 1/20 0.42
▸ ADH5 P11766 2/20 0.42
▸ JAK2 O60674 1/20 0.40
▸ NTRK1 P04629 1/20 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
SCHEMBL12596036 0.82 PDE3B (0.64) PDE3BPDE3ALMNACYP1A2MEN1
SCHEMBL12648797 0.77 KDR (0.44) PDE3BPDE3ALMNACYP1A2MEN1
SCHEMBL13071051 0.77 NOTUM (0.62) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL13070907 0.77 NOTUM (0.54) PDE3BPDE3ALMNACYP1A2MEN1
SCHEMBL1769796 0.76 NOTUM (0.61) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL13071050 0.76 NOTUM (0.61) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7280366 0.76 PDE3B (1.00) PDE3BPDE3ALMNACYP1A2MEN1
SCHEMBL13071350 0.75 NOTUM (0.54) PDE3BPDE3AKDRNOTUM
SCHEMBL26699650 0.75 NOTUM (0.51) PDE3BPDE3ALMNACYP1A2MEN1
SCHEMBL12649035 0.75 NOTUM (0.51) PDE3BPDE3ALMNACYP1A2MEN1

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-9212146-B2 Substituted pyridazinones for the treatment of tumors SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-15 — — US disclosed
US-9212146-B2 Substituted pyridazinones for the treatment of tumors SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-15 — — US disclosed
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES 2013-10-24 — — US disclosed
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES 2013-10-24 — — US disclosed
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
EP-2253625-B1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2013-03-13 — — EP 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
EP-2253625-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2010-11-24 — — 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-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF PDXK, PNPO, HCCS PDE3B 3200/4885PDE3A 3115/4885LMNA 109/4885
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF CYP3A5, PDXK, HCCS PDE3B 3489/4885PDE3A 3440/4885LMNA 89/4885

“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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