SCHEMBL12623717

SCHEMBL12623717

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc4c(=O)[nH]cnc4cc3F)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 3/20 0.35
▸ CYP2C8 P10632 1/20 0.33
▸ ACVR1 Q04771 2/20 0.32
▸ PARP1 P09874 3/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ IP6K3 Q96PC2 1/20 0.30
▸ IP6K2 Q9UHH9 1/20 0.30

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
SCHEMBL12623779 0.88 ACVR1 (0.35) CYP2C8ACVR1PARP1GRIN1GRIN2B
SCHEMBL12623780 0.86 ACVR1 (0.35) ACVR1GRIN1GRIN2B
SCHEMBL12624158 0.84 CYP2C8 (0.35) CYP2C8PIM1PIM2
SCHEMBL12623799 0.84 GRIN1 (0.32) CYP2C8PARP1PIM1PIM2GRIN1
SCHEMBL12388865 0.83 IP6K1 (0.32) IP6K1ACVR1
SCHEMBL12623647 0.83 PDPK1 (0.35) CYP2C8
SCHEMBL10257060 0.83 PPARG (0.35) GRIN1GRIN2B
SCHEMBL12624639 0.83 MAPT (0.40) —
SCHEMBL12623598 0.82 PPARG (0.31) CYP2C8GRIN1GRIN2B
SCHEMBL12623895 0.82 HTT (0.36) GRIN1GRIN2B

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 IP6K1 662/4885CYP2C8 1761/4885ACVR1 3281/4885

“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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