SCHEMBL10154296

SCHEMBL10154296

CNCc1cccc(-n2cncn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 3/20 0.50
PARP1 P09874 1/20 0.45
CYP2A6 P11509 1/20 0.45
EPHX2 P34913 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CTSD P07339 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 2/20 0.40
GRK6 P43250 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10276671 0.83 CYP2A6 (0.49) CYP2A6HCRTR1HCRTR2CYP1A2CYP2D6
SCHEMBL10154113 0.81 SMN1; SMN2 (0.50) PARP1CYP2A6CYP1A2CYP2D6CYP2C9
SCHEMBL19650827 0.80 HCRTR1 (0.44) PRMT6CYP2A6HCRTR1HCRTR2CTSD
SCHEMBL11990207 0.80 CYP1A2 (0.47) CYP2A6HCRTR1HCRTR2CTSDCYP1A2
SCHEMBL17335727 0.80 CTSD (0.49) HCRTR1HCRTR2CTSDCYP1A2CYP2D6
SCHEMBL30640531 0.80 CYP2A6 (0.49) CYP2A6HCRTR1HCRTR2CYP1A2CYP2D6
SCHEMBL11209168 0.80 CYP2A6 (0.49) CYP2A6HCRTR1HCRTR2CYP1A2CYP2D6
SCHEMBL1020541 0.80 LMNA (0.49) CYP2A6HCRTR1HCRTR2CTSDCYP1A2
SCHEMBL9454369 0.80 CYP2A6 (0.49) CYP2A6HCRTR1HCRTR2CTSDCYP1A2
SCHEMBL11952906 0.79 CYP2A6 (0.45) CYP2A6HCRTR1HCRTR2CTSDCYP1A2

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PRMT6 4271/4885PARP1 2140/4885CYP2A6 3444/4885

“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.