SCHEMBL22957720

SCHEMBL22957720

CCCNCc1cccc(OCC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.49
▸ CHRM2 P08172 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SCN8A Q9UQD0 2/20 0.45
▸ DRD2 P14416 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ MEF2D Q14814 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL13074511 0.88 BCHE (0.49) BCHECHRM2KDM4ESMN1; SMN2MEN1
SCHEMBL5947542 0.83 BCHE (0.60) BCHECHRM2KDM4EMEN1KMT2A
SCHEMBL20776850 0.82 CARM1 (0.51) BCHECHRM2KDM4ESMN1; SMN2MEN1
SCHEMBL26028581 0.82 BCHE (0.47) BCHECHRM2KDM4ESMN1; SMN2MEN1
SCHEMBL8292121 0.82 MRGPRX4 (0.48) BCHECHRM2KDM4EHTR7HDAC4
SCHEMBL12228162 0.81 BCHE (0.54) BCHECHRM2KDM4EMEN1KMT2A
SCHEMBL5947203 0.81 KDM4E (0.66) BCHEKDM4EMEN1KMT2ASCN8A
SCHEMBL12933252 0.81 HDAC4 (0.45) BCHEKDM4EMEN1KMT2ADRD2
SCHEMBL8220092 0.80 DRD2 (0.45) CHRM2DRD2DRD3
SCHEMBL5947539 0.80 BCHE (0.56) BCHEKDM4ESMN1; SMN2MEN1KMT2A

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-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 BCHE 4730/4885CHRM2 4111/4885KDM4E 1067/4885

“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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