SCHEMBL3036034

SCHEMBL3036034

CC(=O)c1c(-c2cccs2)n[nH]c(=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 2/20 0.42
ALPL P05186 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 2/20 0.41
MCL1 Q07820 1/20 0.41
ADORA2A P29274 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 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
SCHEMBL4060407 0.87 MEN1 (0.47) MAPTTSHRCDK4CCND1CCNE2
SCHEMBL3036246 0.73 ADORA1 (0.56) MAPTSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL13721415 0.70 ATM (0.59) MAPTSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL3848844 0.69 KMT2A (0.54) MAPTSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL624711 0.69 MEN1 (0.45) MAPTCCNE2CCNE1CDK2ALDH1A1
SCHEMBL3040826 0.69 MERTK (0.44) MAPTSMN1; SMN2TSHRKDM4ECDK8
SCHEMBL8553615 0.68 ADORA1 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL14611730 0.67 HSD17B10 (0.51) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17354655 0.67 PLAU (0.59) MAPTSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL4052572 0.67 PRNP (0.50) MAPTALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 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 (3 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B MAPT 4154/4885SMN1; SMN2 3744/4885TSHR 1174/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B MAPT 4236/4885SMN1; SMN2 3892/4885TSHR 1357/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B MAPT 4154/4885SMN1; SMN2 3744/4885TSHR 1174/4885

“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.