SCHEMBL22623915

SCHEMBL22623915

CC(C)C(O)(CCC(C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP3A4 P08684 4/20 0.40
▸ BCL2 P10415 2/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37

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
SCHEMBL21216519 0.82 MEN1 (0.48) KMT2AMEN1NPSR1CYP3A4BCL2
SCHEMBL22623891 0.77 KMT2A (0.56) KMT2AMEN1NPSR1BCL2TSHR
SCHEMBL22623918 0.73 MEN1 (0.50) KMT2AMEN1NPSR1CYP3A4BCL2
SCHEMBL12238642 0.72 KMT2A (0.60) KMT2AMEN1NPSR1CYP3A4BCL2
SCHEMBL25946132 0.69 KMT2A (0.55) KMT2AMEN1NPSR1CYP3A4BCL2
SCHEMBL11095244 0.69 CYP19A1 (0.50) KMT2AMEN1CYP3A4CYP17A1
SCHEMBL12197913 0.68 KMT2A (0.54) KMT2AMEN1NPSR1CYP3A4BCL2
SCHEMBL10837242 0.68 KMT2A (0.48) KMT2AMEN1NPSR1CYP3A4BCL2
SCHEMBL6552273 0.68 MEN1 (0.52) KMT2AMEN1NPSR1CYP3A4CYP17A1
SCHEMBL10253668 0.67 KMT2A (0.58) KMT2AMEN1NPSR1BCL2TSHR

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 — — 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 KMT2A 3048/4885MEN1 3757/4885NPSR1 3456/4885

“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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