SCHEMBL6745398

SCHEMBL6745398

Cc1cnc([N]N)nc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
NUDT1 P36639 1/20 0.32
RAD52 P43351 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
QRFPR Q96P65 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13328697 0.72
SCHEMBL10917072 0.70 CRHBP (0.35) RAD52KDM4ERAB9ASMN1; SMN2QRFPR
SCHEMBL558033 0.70
SCHEMBL130245 0.69
Hydrochloric Acid SCHEMBL28160401 0.68 NOS3 (0.46) NOS3NOS1NOS2NUDT1
Hydrochloric Acid SCHEMBL27632604 0.68 NOS3 (0.46) NOS3NOS1NOS2NUDT1
Ammonia Solution, Strong SCHEMBL5132889 0.68 NOS3 (0.46) NOS3NOS1NOS2NUDT1
Ammonia Solution, Strong SCHEMBL15795891 0.67 NOS3 (0.39) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL19979074 0.67 NOS3 (0.39) NOS3NOS1NOS2NUDT1KDM4E
SCHEMBL10517407 0.65 KDM4E (0.40) NOS3NOS1NOS2NUDT1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
US-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US disclosed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 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 (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-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 NOS3 825/4885NOS1 2058/4885NOS2 1074/4885

“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.