SCHEMBL6071664

SCHEMBL6071664

N#Cc1c(N)nc2ccccc2c1CCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 3/20 0.38
HTT P42858 1/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL6071998 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL6071945 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHTTGAAHSD17B10
SCHEMBL6071926 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHTTHPGDGAA
SCHEMBL6265005 0.73 TLR8 (0.64) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL6071662 0.72 CACNA2D1 (0.43) NCF1ALDH1A1KDM4ELMNATP53
SCHEMBL6072069 0.72 KDM4E (0.50) ALDH1A1KDM4ELMNATP53CYP3A4
SCHEMBL6071602 0.70 POLB (0.41) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6071657 0.68 ALDH1A1 (0.42) NCF1ALDH1A1KDM4EHTR2AHTR2C
SCHEMBL6071641 0.68 ALDH1A1 (0.42) ALDH1A1KDM4ELMNATP53HTT
SCHEMBL6071833 0.68 CYP19A1 (0.46) ALDH1A1KDM4ELMNATP53HTT

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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 NCF1 1027/4885SIGMAR1 3564/4885SLC6A4 4245/4885

“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.