SCHEMBL12435809

SCHEMBL12435809

COc1ncccc1-c1c(C=O)[nH]c2cc(F)c3c(c12)OCC3

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.39
▸ EED O75530 2/20 0.35
▸ SUZ12 Q15022 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ KCNA3 P22001 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ ELANE P08246 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
SCHEMBL12655604 0.81 EED (0.37) BTKEEDSUZ12EZH2FFAR4
SCHEMBL12435847 0.78 PARP1 (0.32) NPC1RAB9A
SCHEMBL12342246 0.71 BTK (0.42) BTKFFAR4NAAALOXL2ALOX5AP
SCHEMBL12388713 0.70 EED (0.43) EEDSUZ12EZH2
SCHEMBL12388685 0.67 BTK (0.38) BTKLOXL2KCNA3ELANE
SCHEMBL13210003 0.65 BTK (0.41) BTKLOXL2KCNA3
SCHEMBL13210023 0.64 BTK (0.36) BTKLOXL2KCNA3ELANE
SCHEMBL12388717 0.63 PARP1 (0.40) EED
SCHEMBL13210031 0.63 MAP2 (0.40) BTKFFAR4ALOX5APFEN1KCNA3
SCHEMBL367302 0.62 BTK (0.45) BTKFFAR4ALOX5APFEN1NPC1

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-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — 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 (2 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 BTK 3367/4885EED 986/4885SUZ12 1432/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 BTK 4241/4885EED 733/4885SUZ12 2677/4885

“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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