SCHEMBL16587406

SCHEMBL16587406

Cn1ccc2ccc(CC#N)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ PRKCI P41743 1/20 0.37
▸ ENPP2 Q13822 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ HTR7 P34969 1/20 0.33
▸ PFKFB3 Q16875 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL8303438 0.78 CYP2A6 (0.50) CYP2A6L3MBTL1TDP1KDM4EFAAH
SCHEMBL1255190 0.77 CYP2A6 (0.46) CYP2A6L3MBTL1KDM4EFAAHPRKCI
SCHEMBL25185804 0.77 CYP2A6 (0.49) CYP2A6L3MBTL1FAAHPRKCIPIK3CB
SCHEMBL6583538 0.77 CYP2A6 (0.49) CYP2A6L3MBTL1FAAHPRKCIPIK3CB
SCHEMBL111470 0.77 CYP2A6 (0.49) CYP2A6L3MBTL1FAAHPRKCIPIK3CB
SCHEMBL14473327 0.77 CYP2A6 (0.49) CYP2A6L3MBTL1FAAHPRKCIPIK3CB
SCHEMBL5204217 0.76 HTR6 (0.49) TDP1KDM4EPTPRCPTPN1DRD2
Hydrochloric Acid SCHEMBL27898641 0.75 CYP2A6 (0.47) CYP2A6L3MBTL1FAAHPRKCIPIK3CB
SCHEMBL31292647 0.75 CACNA1H (0.44) TDP1KDM4EKDM2B
SCHEMBL6945456 0.74 CYP2A6 (0.46) CYP2A6L3MBTL1FAAHPRKCIPIK3CB

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
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 — — US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 — — US disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
CN-1077572-C Substituted bisindolylmaleimides for inhibition of cell proliferation HOFFMANN LA ROCHE (CH) 2002-01-09 — — CN disclosed
CN-1226249-A Substituted bisindolylmaleimides for inhibition of cell proliferation HOFFMANN LA ROCHE (CH) 1999-08-18 — — CN 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-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 CYP2A6 1728/4885L3MBTL1 1284/4885TDP1 3569/4885

“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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