SCHEMBL7011935

SCHEMBL7011935

c1ccc2ncc(C3=NCCCN3)cc2c1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 6/20 0.83
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
PDGFRB P09619 3/20 0.50
PDGFRA P16234 3/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2A6 P11509 1/20 0.48
KDM4E B2RXH2 2/20 0.46
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
BIRC5 O15392 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL6365864 0.73 NISCH (1.00) NISCHGAATSHRCYP1A2TOP2A
SCHEMBL7008892 0.73 TAAR1 (0.55) NISCHTSHRCYP1A2CYP2D6
SCHEMBL32667946 0.73 PDGFRB (0.77) NISCHPDGFRBPDGFRACYP1A2CYP2A6
SCHEMBL2772360 0.73 PDGFRB (0.77) NISCHPDGFRBPDGFRACYP1A2CYP2A6
SCHEMBL14029044 0.72 NISCH (0.75) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6796961 0.72 CHRNA7 (0.54) NISCHPDGFRBPDGFRACYP1A2CYP2A6
SCHEMBL6796957 0.72 CHRNA7 (0.54) NISCHPDGFRBPDGFRACYP1A2CYP2A6
SCHEMBL8475093 0.71 NPC1 (0.50) NISCHGAATSHRKDM4EALDH1A1
SCHEMBL13327264 0.71 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL1532935 0.70 NISCH (0.63) NISCHPDGFRBPDGFRACYP1A2CYP2A6

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
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US claimed
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US disclosed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP disclosed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 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-20030100769-A1 Cyclic amidine compounds CHRM1, CHRM5, CCKAR NISCH 1691/4885GAA 4427/4885TSHR 31/4885

“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.