SCHEMBL22390588

SCHEMBL22390588

CC(C)(C)Cc1c(F)cc(F)cc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.50
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ CNR2 P34972 4/20 0.34
▸ RBP4 P02753 2/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ SCN9A Q15858 3/20 0.34
▸ IDH2 P48735 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL22389492 0.94 RIPK1 (0.44) RIPK1HTR2AHTR2CHTR2BSCN9A
SCHEMBL22393236 0.81 RIPK1 (0.60) RIPK1HTR2AHTR2CHTR2B
SCHEMBL24180086 0.80 HTR2A (0.38) RIPK1HTR2AHTR2CHTR2BPDE10A
SCHEMBL22390302 0.78 RIPK1 (0.49) RIPK1HTR2AHTR2CHTR2B
SCHEMBL22389486 0.77 RIPK1 (0.59) RIPK1HTR2AHTR2CHTR2BCNR2
SCHEMBL22393284 0.76 RIPK1 (0.70) RIPK1HTR2AHTR2CHTR2BRBP4
SCHEMBL22392048 0.75 RIPK1 (0.54) RIPK1HTR2C
SCHEMBL22392894 0.75 RIPK1 (0.52) RIPK1HTR2AHTR2CHTR2BCNR2
SCHEMBL10026825 0.74 RIPK1 (0.41) RIPK1
SCHEMBL22391549 0.74 RIPK1 (0.48) RIPK1HTR2AHTR2CHTR2BSCN9A

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-20200277296-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-03 — — 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 (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-20200277296-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS RIPK1, RIPK4, RIPK3 RIPK1 1/4885HTR2A 2621/4885HTR2C 3194/4885

“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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