SCHEMBL7908910

SCHEMBL7908910

N=C(N)c1nn(CCC(F)(F)F)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.42
CNR1 P21554 7/20 0.41
CNR2 P34972 4/20 0.41
PARP1 P09874 1/20 0.40
GLS O94925 1/20 0.36
ELANE P08246 2/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
CFD P00746 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
PTGER4 P35408 1/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL25969253 0.82 TSHR (0.50) HTR3ACNR1CNR2ELANEF2
SCHEMBL15759320 0.82 CNR1 (0.53) HTR3ACNR1CNR2PARP1GLS
SCHEMBL21413147 0.82 KDM4C (0.41) CFDSCN5ASCN9APLK1
SCHEMBL14777070 0.81 CFD (0.38) HTR3ACNR1CNR2ELANECFD
SCHEMBL29805307 0.77 ELANE (0.52) HTR3ACNR1CNR2ELANEF2
SCHEMBL20534563 0.75 PTGER4 (0.44) CNR1CNR2PTGER4
SCHEMBL28144968 0.74 HSD17B10 (0.58) PARP1ELANE
SCHEMBL20535137 0.74 LMNA (0.41) CNR1PTGER4
SCHEMBL14853611 0.74 CNR1 (0.59) CNR1CNR2PTGER4
SCHEMBL4246698 0.74 BUB1 (0.43) CNR1

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
EP-2373317-B1 4-amino-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one or 4-amino-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one derivatives as activators of the soluble guanylat cyclase for the treatment of cardiovascular diseases MERCK SHARP & DOHME (US) 2016-12-14 EP disclosed
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2011-09-08 US disclosed
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2011-09-08 US disclosed
WO-2010065275-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2010-06-10 WO 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-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, GUCY1A2, PDE3A HTR3A 2873/4885CNR1 1138/4885CNR2 1226/4885

“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.