SCHEMBL22408846

SCHEMBL22408846

COC(c1c(C(=O)O)cnc2cc(C)nn12)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ MALT1 Q9UDY8 5/20 0.42
▸ BIRC3 Q13489 1/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 2/20 0.37
▸ AURKA O14965 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ NFKB1 P19838 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
SCHEMBL18862726 1.00 CYP1A2 (0.49) CYP1A2MALT1BIRC3NPC1RAB9A
SCHEMBL17293093 0.87 CYP1A2 (0.51) CYP1A2MALT1BIRC3NPC1RAB9A
SCHEMBL17293094 0.87 CYP1A2 (0.51) CYP1A2MALT1BIRC3NPC1RAB9A
SCHEMBL18787657 0.86 MALT1 (0.52) MALT1BIRC3NPC1RAB9ASMN1; SMN2
SCHEMBL17293052 0.86 MALT1 (0.52) MALT1BIRC3NPC1RAB9ASMN1; SMN2
SCHEMBL17293051 0.86 MALT1 (0.52) MALT1BIRC3NPC1RAB9ASMN1; SMN2
SCHEMBL18839707 0.86 MALT1 (0.41) CYP1A2MALT1BIRC3NPC1RAB9A
SCHEMBL18839705 0.86 MALT1 (0.41) CYP1A2MALT1BIRC3NPC1RAB9A
SCHEMBL20455857 0.84 CYP1A2 (0.56) CYP1A2MALT1BIRC3NPC1RAB9A
SCHEMBL20921920 0.80 CYP1A2 (0.38) CYP1A2MALT1BIRC3NPC1RAB9A

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-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives NOVARTIS PHARMA AG (CH) 2020-09-17 — — 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-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives MMEL1, PPME1, CTSC CYP1A2 2769/4885MALT1 4/4885BIRC3 49/4885

“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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