SCHEMBL12623009

SCHEMBL12623009

Cc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(C#N)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 5/20 0.38
▸ PIK3CA P42336 5/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ GPR6 P46095 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL12623086 0.90 PIK3R1 (0.37) PIK3R1PIK3CAPTGDR2GPR6HCRTR1
SCHEMBL831774 0.90 PIK3R1 (0.35) PIK3R1PIK3CAPTGDR2GPR6HCRTR1
SCHEMBL12623273 0.88 PTGDR2 (0.35) PIK3R1PIK3CAPTGDR2GPR6HCRTR1
SCHEMBL12622996 0.87 PTGDR2 (0.33) PTGDR2PKMKCNH2ALDH1A1MGAM
SCHEMBL832275 0.87 KDM4E (0.42) PKMALDH1A1POLBMGAMGAA
SCHEMBL12623239 0.85 PTGDR2 (0.36) PTGDR2PKMKCNH2MGAMGAA
SCHEMBL12623112 0.84 BRD4 (0.37) PIK3R1PIK3CAPTGDR2KCNH2ALDH1A1
SCHEMBL12623302 0.84 CA1 (0.33) PTGDR2KCNH2KMT2AMGAMGAA
SCHEMBL10257060 0.83 PPARG (0.35) PTGDR2PKMKCNH2KDM4ETSHR
SCHEMBL832999 0.83 PTGDR2 (0.37) PTGDR2PKMKCNH2ALDH1A1MGAM

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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 PIK3R1 4629/4885PIK3CA 4762/4885PTGDR2 2993/4885

“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.

Send feedback