SCHEMBL12623636

SCHEMBL12623636

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3ccc4occc(=O)c4c3)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CYP19A1 P11511 3/20 0.34
▸ MAOA P21397 7/20 0.34
▸ MAOB P27338 7/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ DYRK1A Q13627 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
SCHEMBL12623613 0.84 MCL1 (0.41) PTGDR2CYP19A1TNIKPIM1PIM2
SCHEMBL12623755 0.81 TNIK (0.32) MAOAMAOBTNIKPIM1PIM2
SCHEMBL12623594 0.81 GRIN1 (0.36) PTGDR2TNIKPIM1PIM2ALDH1A1
SCHEMBL12624639 0.80 MAPT (0.40) MAPTALDH1A1POLBHTTTP53
SCHEMBL10257060 0.78 PPARG (0.35) PTGDR2MAPTTP53
SCHEMBL12623598 0.78 PPARG (0.31) PTGDR2
SCHEMBL12623690 0.78 PDE4A (0.35) PTGDR2PIM1PIM2KMT2ADYRK1A
SCHEMBL12623711 0.76 CYP2C8 (0.36) PTGDR2PIM1PIM2MAPTTP53
SCHEMBL12623316 0.75 CYP2C8 (0.50) PIM1PIM2MAPTKMT2A
SCHEMBL12655426 0.75 GRIN1 (0.31) —

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 PTGDR2 2993/4885CYP19A1 2375/4885MAOA 139/4885

“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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