SCHEMBL19755757

SCHEMBL19755757

Cc1cc(C#N)cc(Oc2cccc3c2ccn3-c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ GRM5 P41594 1/20 0.36
▸ SCN9A Q15858 3/20 0.33
▸ SYK P43405 1/20 0.33
▸ HTR3A P46098 4/20 0.32
▸ IRAK4 Q9NWZ3 4/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ENPP2 Q13822 2/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 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
SCHEMBL18072475 0.87 LOXL2 (0.55) LOXL2SCN9ASYKIRAK4MAP4K1
SCHEMBL19755754 0.83 LOXL2 (0.41) LOXL2SYKHTR3AIRAK4MAP4K1
SCHEMBL18361992 0.80 LOXL2 (0.38) LOXL2SCN9ASYKHTR3AIRAK4
SCHEMBL28906716 0.74 LOXL2 (0.35) LOXL2SYKHTR3AMAP4K1
SCHEMBL19739420 0.73 LOXL2 (0.37) LOXL2SYKHTR3AIRAK4MAP4K1
SCHEMBL28567884 0.73 LOXL2 (0.39) LOXL2SYKHTR3AIRAK4MAP4K1
SCHEMBL28510258 0.73 TYRO3 (0.36) LOXL2SYKHTR3AIRAK4MAP4K1
Hydrochloric Acid SCHEMBL28574601 0.72 LOXL2 (0.39) LOXL2SYKHTR3AMAP4K1NPSR1
SCHEMBL18049928 0.72 LOXL2 (0.55) LOXL2
SCHEMBL18361990 0.72 LOXL2 (0.57) LOXL2SYKHTR3AIRAK4MAP4K1

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-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2017-12-28 — — 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-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX LOXL2 1/4885GRM5 4081/4885SCN9A 4216/4885

“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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