SCHEMBL3756294

SCHEMBL3756294

CN(c1[c]nccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHKA P35790 2/20 0.36
EGFR P00533 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
PDE5A O76074 2/20 0.33
HTT P42858 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL6178990 0.80 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL18170973 0.78 KCNA5 (0.33)
SCHEMBL303262 0.77
SCHEMBL2067573 0.72 CHRNB2 (0.31)
SCHEMBL5357336 0.72 TAAR1 (0.34) TAAR1
SCHEMBL20527419 0.71
SCHEMBL2068626 0.71 CHRNB2 (0.35)
SCHEMBL3385311 0.70 HDAC1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL693664 0.69 MEN1 (0.37) MAPK1CHKAEGFRGSK3BKMT2A
SCHEMBL4722599 0.69 CSNK1D (0.33) CYP2D6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA CYP1A2 3200/4885CYP3A4 1613/4885CYP2D6 1642/4885

“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.