SCHEMBL4016016

SCHEMBL4016016

CCCc1nccc(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.51
PDE3A Q14432 4/20 0.51
GPR84 Q9NQS5 7/20 0.46
GLA P06280 1/20 0.44
KDM4C Q9H3R0 1/20 0.41
GSK3B P49841 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MPO P05164 1/20 0.39
TPO P07202 1/20 0.39
TSHR P16473 1/20 0.39
LPO P22079 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAS2R38 P59533 1/20 0.39
BACE1 P56817 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL3639622 0.89 GPR84 (0.51) PDE3BPDE3AGPR84GSK3BMEN1
SCHEMBL791861 0.87 GPR84 (0.54) PDE3BPDE3AGPR84GSK3BKMT2A
SCHEMBL3823910 0.83
SCHEMBL2483213 0.80 PDE3B (0.42) PDE3BPDE3AGPR84GLAMEN1
SCHEMBL26011808 0.80 MEN1 (0.39) PDE3BPDE3AGPR84MEN1KMT2A
SCHEMBL28202924 0.77
SCHEMBL3344549 0.76 MEN1 (0.58) GPR84GLAGSK3BMEN1KMT2A
SCHEMBL14639314 0.75
SCHEMBL10927286 0.75
SCHEMBL6294711 0.74 GPR84 (0.38) PDE3BPDE3AGPR84MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018003-B2 Substituted pyrimidines as matrix metalloproteinase-9 hemopexin domain inhibitors THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-25 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 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 (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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A PDE3B 448/4885PDE3A 596/4885GPR84 213/4885
US-12018003-B2 Substituted pyrimidines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP9, MMP7, MMP11 PDE3B 3962/4885PDE3A 3656/4885GPR84 3846/4885

“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.