SCHEMBL799365

SCHEMBL799365

CC(C)c1ccc(F)cc1-c1cn(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.40
▸ CYP2E1 P05181 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MET P08581 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ USP1 O94782 1/20 0.33
▸ F2RL1 P55085 2/20 0.32
▸ MAPK14 Q16539 3/20 0.32

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
SCHEMBL26855947 0.79 CYP2E1 (0.42) CASP6LRRK2CYP2E1CYP2A6CYP2C9
SCHEMBL22040916 0.77 CASP6 (0.39) CASP6LRRK2CYP2E1CYP2A6CYP2C9
SCHEMBL20102298 0.74 KDM4E (0.44) CASP6LRRK2CYP2E1CYP2A6CYP2C9
SCHEMBL10094405 0.74 GPR55 (0.46) LRRK2METBRD4ALOX5APFEN1
SCHEMBL10094417 0.72 ROCK2 (0.39) HSP90AA1HSP90AB1MAPK14
SCHEMBL20232782 0.71 MET (0.38) CASP6LRRK2CYP2E1CYP2A6CYP2C9
SCHEMBL12427197 0.71 CYP2E1 (0.51) CASP6LRRK2CYP2E1CYP2A6CYP2C9
SCHEMBL14883263 0.70 USP1 (0.39) CASP6HRH4USP1MAPK14BRD4
SCHEMBL10094408 0.70 RPS6KA3 (0.46) MAPK14
SCHEMBL23419417 0.69 PTGS1 (0.39) CYP2A6CYP2C9CYP2C19HSP90AA1PSEN1

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 — — 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 CASP6 754/4885LRRK2 2392/4885CYP2E1 4733/4885

“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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