SCHEMBL7024600

SCHEMBL7024600

[c]1cc(-c2ncc[nH]2)sn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.38
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
SMPD3 Q9NY59 1/20 0.31
CSNK1A1 P48729 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 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
SCHEMBL81650 0.68 NISCH (0.59) NISCHMTORADKALDH1A1MEN1
SCHEMBL4784025 0.68 NISCH (0.45) NISCHMTORADKALDH1A1MEN1
SCHEMBL9987302 0.67 PDE4A (0.41) NISCHMTORADKALDH1A1MEN1
Hydrochloric Acid SCHEMBL1536214 0.66 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL28425230 0.66 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL5331544 0.64 NISCH (0.41) NISCHMTORADKALDH1A1MEN1
SCHEMBL23815521 0.63 NISCH (0.41) NISCHMTORADKALDH1A1MEN1
SCHEMBL27850713 0.63 NISCH (0.39) NISCHMTORADKALDH1A1MEN1
SCHEMBL11655 0.63 NISCH (0.48) NISCHMTORADKALDH1A1MEN1
SCHEMBL27586678 0.63 NISCH (0.50) NISCHMTORADKALDH1A1MEN1

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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A NISCH 4511/4885MTOR 1748/4885ADK 2676/4885

“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.