SCHEMBL21712220

SCHEMBL21712220

COC(=O)c1cc2nsnc2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.49
▸ FGFR1 P11362 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ KDM4E B2RXH2 10/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ POLB P06746 3/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GLA P06280 1/20 0.38

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
SCHEMBL257285 0.87 KDM4E (0.44) GAAKDM4ENPC1RAB9APOLB
SCHEMBL29009066 0.81 MEN1 (0.40) GAAKDM4ENPC1RAB9APOLB
SCHEMBL28451735 0.81 NPC1 (0.41) GAAFGFR1KDM4ENPC1RAB9A
SCHEMBL21712348 0.81 CA12 (0.49) GAAKDM4ENPC1RAB9APOLB
SCHEMBL6582728 0.79 KDM4E (0.67) GAAKDM4EPOLBKMT2AMAPT
SCHEMBL12043691 0.78 GAA (0.55) GAAFGFR1SRCKDM4ERAB9A
SCHEMBL15626538 0.77 NQO2 (0.48) GAAKDM4ENPC1RAB9APOLB
SCHEMBL28922177 0.76 GAA (0.49) GAAFGFR1SRCKDM4ENPC1
SCHEMBL28445077 0.76 KMT2A (0.37) GAAKDM4ENPC1RAB9APOLB
SCHEMBL7466908 0.75 KDM4E (0.68) GAAKDM4EPOLBKMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-02-20 — — 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-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA GAA 1203/4885FGFR1 1864/4885SRC 4307/4885

“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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