SCHEMBL12411727

SCHEMBL12411727

Cc1cnc2ccc(N3CCC3)nn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HTT P42858 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 5/20 0.44
▸ MAPT P10636 4/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ CASP1 P29466 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PDE10A Q9Y233 3/20 0.40

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
SCHEMBL15258013 0.97 HTT (0.59) SMN1; SMN2HTTKDM4EHSD17B10MAPT
SCHEMBL23666402 0.95 HTT (0.58) SMN1; SMN2HTTKDM4EHSD17B10MAPT
SCHEMBL18590412 0.87 KDM4E (0.61) SMN1; SMN2HTTKDM4EHSD17B10MAPT
SCHEMBL23666441 0.86 CSNK1E (0.52) SMN1; SMN2HTTKDM4EHSD17B10MAPT
SCHEMBL12411738 0.80 HTT (0.47) SMN1; SMN2HTTKDM4EHSD17B10MAPT
SCHEMBL21765939 0.79 PDE10A (0.44) SMN1; SMN2HTTKDM4EPIM1PDE10A
SCHEMBL18590994 0.79 RXFP1 (0.46) SMN1; SMN2HTTKDM4EMAPTPIM1
SCHEMBL31381255 0.79 HTT (0.48) SMN1; SMN2HTTKDM4EHSD17B10NPSR1
SCHEMBL24074245 0.77 HTT (0.51) SMN1; SMN2HTTKDM4EHSD17B10MAPT
SCHEMBL22083655 0.77 HTT (0.55) SMN1; SMN2HTTKDM4EHSD17B10MAPT

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
US-8507488-B2 Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC (BM) 2013-08-13 — — US disclosed
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-07-07 — — 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-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS ALK, ROS1, FLT3 SMN1; SMN2 2331/4885HTT 1390/4885KDM4E 771/4885

“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.

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