SCHEMBL12365865

SCHEMBL12365865

COC(=O)c1ccc2c(c1)C(c1cccc(F)c1Cl)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.43
▸ MAPK14 Q16539 7/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ IL2 P60568 2/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL12365405 0.90 MAPK14 (0.41) PDK2MAPK14NPC1RAB9AIL2
SCHEMBL12364995 0.90 PDK2 (0.45) PDK2MAPK14NPC1RAB9AIL2
SCHEMBL12365674 0.89 IL2 (0.43) PDK2MAPK14NPC1RAB9AIL2
SCHEMBL12390275 0.88 PDK2 (0.42) PDK2MAPK14NPC1RAB9AIL2
SCHEMBL12365424 0.88 MAPK14 (0.41) PDK2MAPK14ALDH1A1
SCHEMBL12365419 0.87 MAPK14 (0.43) PDK2MAPK14NPC1RAB9AIL2
SCHEMBL12365807 0.87 MAPK14 (0.47) PDK2MAPK14IL2KMT2AMEN1
SCHEMBL12365869 0.86 SRD5A2 (0.43) PDK2MAPK14ALDH1A1
SCHEMBL12365958 0.86 MAPK14 (0.39) PDK2MAPK14NPC1RAB9AIL2
SCHEMBL12365832 0.85 MAPK14 (0.44) PDK2MAPK14NPC1RAB9AKMT2A

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PDK2 3920/4885MAPK14 3304/4885NPC1 1519/4885

“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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