SCHEMBL659787

SCHEMBL659787

Cc1cnc2c(c1)NC(=O)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP12 P39900 1/20 0.38
AHR P35869 3/20 0.37
CMA1 P23946 1/20 0.37
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
GRIA1 P42261 2/20 0.34
CACNG8 Q8WXS5 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CRBN Q96SW2 1/20 0.34
PDK2 Q15119 1/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL14494384 0.84 PDE3B (0.40) RAB9ASMN1; SMN2MMP12EPHX2BRD4
SCHEMBL658962 0.78 AHR (0.53) AHRCMA1GSK3AGSK3B
SCHEMBL660464 0.78 AHR (0.49) AHRCMA1GSK3AGSK3BPDK2
SCHEMBL659190 0.78 AHR (0.37) AHRCMA1GSK3AGSK3BPDK2
SCHEMBL13617978 0.78 AHR (0.37) AHRCMA1GSK3AGSK3BPDK2
SCHEMBL15332656 0.75 AHR (0.35) RAB9ASMN1; SMN2AHRCMA1GSK3A
SCHEMBL30104080 0.74 HTT (0.42) GSK3AGSK3BCRBN
SCHEMBL5502802 0.74 MAPT (0.43) POLBGSK3AGSK3B
SCHEMBL27398127 0.74 BRD4 (0.41) BRD4CREBBPCRBN
SCHEMBL15147661 0.73 ALDH1A1 (0.47) POLBGSK3BCRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 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-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 RAB9A 2171/4885SMN1; SMN2 3551/4885MMP12 3603/4885

“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.