SCHEMBL16945705

SCHEMBL16945705

Cc1noc(C2(NC(=N)N)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
KRAS P01116 1/20 0.32
CRHR1 P34998 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL16945625 0.85 CHRM2 (0.33) CHRM2KRASCRHR1HSD11B1
SCHEMBL19033003 0.84 CHRM2 (0.33) CHRM2KRASCRHR1HSD11B1
SCHEMBL15998536 0.75 CHRM2 (0.37) CHRM2KRASCRHR1HSD11B1
SCHEMBL16945626 0.75 SPHK2 (0.46)
SCHEMBL12258771 0.71 HSD11B1 (0.36) CHRM2KRASCRHR1HSD11B1
SCHEMBL12888955 0.71 CHRM2 (0.35) CHRM2KRASCRHR1HSD11B1
SCHEMBL12904914 0.71 CHRM2 (0.35) CHRM2KRASCRHR1HSD11B1
SCHEMBL13105097 0.68 CHRM2 (0.41) CHRM2KRASHSD11B1
SCHEMBL14942714 0.67 CHRM2 (0.39) CHRM2KRASHSD11B1
SCHEMBL12259635 0.67 CHRM2 (0.39) CHRM2KRASHSD11B1

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-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 US disclosed
US-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-07-30 US disclosed
US-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-07-30 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-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, SGPL1 CHRM2 4640/4885KRAS 830/4885CRHR1 3180/4885

“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.