SCHEMBL2227204

SCHEMBL2227204

NCc1csc(NC(=O)c2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
PDE5A O76074 2/20 0.69
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
AOC3 Q16853 2/20 0.60
CDK5 Q00535 4/20 0.59
CDK5R1 Q15078 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE1C Q14123 1/20 0.57
KDM4A O75164 1/20 0.57
KDM4B O94953 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
KDM5B Q9UGL1 1/20 0.57
SCD O00767 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL5717620 0.86 KDM4E (0.74) KDM4EPDE5ANPC1RAB9AAOC3
SCHEMBL2664517 0.85 KDM4E (0.69) KDM4EPDE5ANPC1RAB9AAOC3
SCHEMBL27599948 0.85 KDM4E (0.78) KDM4EPDE5ANPC1RAB9AAOC3
SCHEMBL91391 0.85 KDM4E (0.69) KDM4EPDE5ANPC1RAB9AAOC3
SCHEMBL27782868 0.83 AOC3 (0.74) KDM4EPDE5ANPC1RAB9AAOC3
SCHEMBL2664522 0.83 KDM4E (0.66) KDM4EPDE5ANPC1RAB9AAOC3
SCHEMBL6919140 0.82 KDM4E (0.64) KDM4EPDE5ANPC1RAB9AAOC3
SCHEMBL17674539 0.81 SMN1; SMN2 (0.50) KDM4EPDE5ANPC1RAB9AAOC3
SCHEMBL25720785 0.81 PDE5A (0.79) KDM4EPDE5ANPC1RAB9ASMN1; SMN2
SCHEMBL4874993 0.80 AOC3 (0.74) KDM4EPDE5ANPC1RAB9AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP disclosed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 US disclosed
WO-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 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-20120295905-A1 NEW ANTI-MALARIAL AGENTS QDPR, DHFR, ITPA KDM4E 444/4885PDE5A 524/4885NPC1 3217/4885

“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.