SCHEMBL20340924

SCHEMBL20340924

CC[C@H]1CN(c2cc(Cl)nc(CC3CC3(F)F)n2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 4/20 0.39
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAP3K12 Q12852 2/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ LRRK2 Q5S007 4/20 0.31
▸ KIF18A Q8NI77 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL26381269 0.75 KMT2A (0.62) AKT1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL18399228 0.75 PIK3CD (0.44) AKT1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL21796865 0.75 PIK3CD (0.44) AKT1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL18398940 0.75 PIK3CD (0.44) AKT1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL16224484 0.74 MAP3K12 (0.33) MAP3K12
SCHEMBL22098492 0.73 AKT1 (0.41) AKT1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL22050881 0.72 AKT1 (0.38) AKT1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL17510275 0.72 MAP3K12 (0.56) MAP3K12
SCHEMBL22052409 0.65 MAP3K12 (0.36) AKT1KMT2AMAP3K12LRRK2SCN9A
SCHEMBL22556086 0.65 FPR2 (0.41) AKT1CYP1A2MAPTPIK3CDPIK3CA

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-10010549-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-03 — — 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-10010549-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 AKT1 2670/4885KMT2A 2566/4885CYP1A2 71/4885

“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.

Send feedback