SCHEMBL17314818

SCHEMBL17314818

CC1CCC(Cn2cnc3c2c(=O)[nH]c(=O)n3C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 1/20 0.52
PMP22 Q01453 1/20 0.52
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
PDE4A P27815 4/20 0.46
ADORA2A P29274 4/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
BRD4 O60885 2/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
TSHR P16473 4/20 0.43

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
SCHEMBL15931519 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL7033933 0.95 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL18256061 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL18256051 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL17314877 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL17314878 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL18256135 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL15923932 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL17314452 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1CYP3A4PMP22POLB
SCHEMBL17314451 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1CYP3A4PMP22POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9682978-B2 2,6,7 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-20 US disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20150368247-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-24 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 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 (2 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-20150368247-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, NSUN2, DHX29 SMN1; SMN2 1914/4885MAPK1 2543/4885CYP3A4 4143/4885
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 SMN1; SMN2 2062/4885MAPK1 2502/4885CYP3A4 4109/4885

“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.