SCHEMBL12365676

SCHEMBL12365676

COC(=O)c1ccc2c(c1)C(c1ccc(CC#N)cc1)=CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.36
▸ PTPRF P10586 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CHKA P35790 1/20 0.35
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ SETD7 Q8WTS6 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
SCHEMBL12365678 0.88 RAB9A (0.42) PTPRCPTPRFPTPN1CDC25BCHKA
SCHEMBL12365694 0.86 RARB (0.39) RAB9ARARARARBRARG
SCHEMBL12365066 0.86 CYP4A11 (0.39) PTPRCPTPRFPTPN1CDC25BCHKA
SCHEMBL12365024 0.85 RARA (0.43) PTPRCPTPRFPTPN1CDC25BRARA
SCHEMBL2259471 0.84 MEN1 (0.38) CHKALOXL2MAPTRAB9A
SCHEMBL12365071 0.83 CA1 (0.47) PTPRCPTPRFPTPN1CDC25BPDK2
SCHEMBL12365032 0.83 SLC6A3 (0.45) PTPRCPTPRFPTPN1CDC25BPDK2
SCHEMBL12364977 0.83 TDP1 (0.47) PTPRCPTPRFPTPN1CDC25BMAPT
SCHEMBL12389660 0.83 PDK2 (0.39) PTPRCPTPRFPTPN1CDC25BLOXL2
SCHEMBL12364983 0.82 MAPK14 (0.46) PDK2MAPTRAB9ARARARARB

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 PTPRC 3006/4885PTPRF 3643/4885PTPN1 3708/4885

“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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