SCHEMBL20117703

SCHEMBL20117703

Nc1ccc(C(F)(F)F)nc1Nc1ccc2c(c1)CCN2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 4/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ KIF11 P52732 5/20 0.38
▸ SYK P43405 3/20 0.37
▸ PTK2B Q14289 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ TYK2 P29597 1/20 0.35

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
SCHEMBL18188282 0.79 PTK2B (0.59) ULK1KIF11SYKPTK2B
SCHEMBL7697294 0.76 CA12 (0.47) DRD2DRD4JAK2TYK2
SCHEMBL18188436 0.73 MKNK1 (0.53) ULK1PTK2B
SCHEMBL29542975 0.73 MKNK1 (0.53) ULK1PTK2B
SCHEMBL18196416 0.71 TRPA1 (0.44) —
SCHEMBL7899032 0.71 FGFR2 (0.38) ULK1PTK2BDRD2DRD4JAK2
SCHEMBL13730254 0.70 MAPT (0.44) SYK
SCHEMBL18188356 0.68 KIF11 (0.54) KIF11SYK
SCHEMBL28163783 0.68 CA12 (0.58) DRD2DRD4
SCHEMBL18188119 0.68 JAK1 (0.46) SYKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-04-26 — — US disclosed
CN-107835814-B Azabenzimidazoles and their use as AMPA receptor modulators 詹森药业有限公司 2021-07-23 — — CN disclosed
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 — — 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-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A ULK1 2005/4885S1PR1 1347/4885KIF11 2735/4885
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators GRIN1, GRIN2B, GRIN3A ULK1 2005/4885S1PR1 1347/4885KIF11 2735/4885

“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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