SCHEMBL9949489

SCHEMBL9949489

CNCc1cnccc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.65
SLC6A4 P31645 10/20 0.65
SLC6A3 Q01959 2/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2A6 P11509 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL31407211 0.85 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL21847315 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL18753948 0.80 NOS3 (0.46) SLC6A2SLC6A4NOS3NOS1POLB
SCHEMBL91395 0.79 CA12 (0.50) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL21193706 0.78 CA12 (0.47) SLC6A2SLC6A4CA12CA1CA2
SCHEMBL30421834 0.78 POLB (0.51) SLC6A2SLC6A4POLBMEN1KMT2A
SCHEMBL4483018 0.77 CYP1A2 (0.51) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL5179904 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL31119316 0.77 CYP1A2 (0.51) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL1770449 0.77 CYP11B1 (0.45) SLC6A2SLC6A4SLC6A3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 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-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 SLC6A2 756/4885SLC6A4 679/4885SLC6A3 358/4885

“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.