SCHEMBL596647

SCHEMBL596647

CCOC(=O)c1nn(Cc2ccccc2F)c2nccn12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
BUB1 O43683 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
GNRHR P30968 1/20 0.39
PDE5A O76074 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC26A6 Q9BXS9 1/20 0.38

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
SCHEMBL3841604 0.83 KMT2A (0.43) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL597857 0.83 ALDH1A1 (0.44) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL16796453 0.78 ALDH1A1 (0.48) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL20211712 0.77 ALDH1A1 (0.49) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL2921176 0.76 SMN1; SMN2 (0.52) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL16082690 0.75 SMN1; SMN2 (0.52) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL29831320 0.75 SMN1; SMN2 (0.52) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL17610985 0.74 P2RY14 (0.50) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL17610956 0.74 SMN1; SMN2 (0.47) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL15780014 0.73 SMN1; SMN2 (0.54) ALDH1A1POLBKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114400-B2 Aza-bicyclic compounds and their use as stimulators of soluble guanylate cyclase BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-14 US disclosed
US-8114400-B2 Aza-bicyclic compounds and their use as stimulators of soluble guanylate cyclase BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-14 US disclosed
US-8114400-B2 Aza-bicyclic compounds and their use as stimulators of soluble guanylate cyclase BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-14 US disclosed
US-20110038857-A1 NOVEL AZA-BICYCLIC COMPOUNDS AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
US-20110038857-A1 NOVEL AZA-BICYCLIC COMPOUNDS AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
US-20110038857-A1 NOVEL AZA-BICYCLIC COMPOUNDS AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
WO-2008061657-A1 NOVEL AZA-BICYCLIC COMPOUNDS AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-29 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-20110038857-A1 NOVEL AZA-BICYCLIC COMPOUNDS AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE GUCY1A2, PDE2A, GUCY1B2 ALDH1A1 2455/4885POLB 2666/4885KDM4E 2271/4885

“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.