SCHEMBL13098615

SCHEMBL13098615

Cn1nc(-c2ccc(N)cc2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 6/20 0.44
GAA P10253 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
PKM P14618 2/20 0.43
MAPT P10636 5/20 0.43
HPGD P15428 2/20 0.43
KPNA2 P52292 1/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 3/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5303980 0.90 ALDH1A1 (0.44) ALDH1A1GAAKDM4EGLAPKM
SCHEMBL5307435 0.83 TP53 (0.57) ALDH1A1GAAKDM4EPKMMAPT
SCHEMBL13098073 0.83 TP53 (0.59) ALDH1A1KDM4EMAPTHPGDTP53
SCHEMBL19319837 0.80 ALDH1A1 (0.44) ALDH1A1GAAKDM4EGLAPKM
SCHEMBL5306702 0.78 ALDH1A1 (0.49) ALDH1A1GAAKDM4EPKMMAPT
SCHEMBL5303637 0.77 POLB (0.48) ALDH1A1GAAKDM4EPKMMAPT
SCHEMBL12491642 0.75 KEAP1 (0.53) KEAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL8108308 0.75 MAPT (0.44) ALDH1A1GAAKDM4EPKMMAPT
SCHEMBL16627899 0.75 ALDH1A1 (0.43) ALDH1A1GAAPKMMAPTTP53
SCHEMBL21611649 0.75 NPC1 (0.55) ALDH1A1GAAKDM4EPKMMAPT

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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC KEAP1 2291/4885ALDH1A1 753/4885GAA 1532/4885

“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.