SCHEMBL12321327

SCHEMBL12321327

Cc1ccc(OCCN2CCC(F)(F)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.53
▸ GRIN3B O60391 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53
▸ GRIN2C Q14957 1/20 0.53
▸ GRIN3A Q8TCU5 1/20 0.53
▸ HRH3 Q9Y5N1 5/20 0.50
▸ DRD2 P14416 6/20 0.47
▸ KCNA5 P22460 2/20 0.46
▸ PSMB1 P20618 2/20 0.44
▸ PSMB5 P28074 2/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ PSMB2 P49721 1/20 0.43

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
SCHEMBL82404 0.91 HRH3 (0.59) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL19389962 0.87 LTA4H (0.57) HRH3DRD2PSMB1PSMB5SLC6A4
SCHEMBL12278101 0.86 KMT2A (0.56) HRH3DRD2PSMB1PSMB5SLC6A4
SCHEMBL82436 0.84 GRIN2D (0.57) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL23291189 0.81 HRH3 (0.49) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL25381352 0.79 TBXAS1 (0.48) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL25462936 0.78 MAPT (0.64) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL18069850 0.77 HRH3 (0.57) MAPTGRIN2BHRH3
SCHEMBL23291194 0.77 LTA4H (0.43) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL25464878 0.76 DRD2 (0.80) GRIN2DGRIN3BMAPTGRIN1GRIN2A

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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 — — 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 GRIN2D 2662/4885GRIN3B 1978/4885MAPT 3127/4885

“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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