SCHEMBL3593878

SCHEMBL3593878

O=C(Nc1ccc2c(c1)CCNC2)c1cnn(Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 1/20 0.47
▸ AXL P30530 2/20 0.47
▸ TYRO3 Q06418 2/20 0.47
▸ MERTK Q12866 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ROCK2 O75116 4/20 0.46
▸ ASIC3 Q9UHC3 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ MELK Q14680 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44

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
SCHEMBL13504912 0.91 MELK (0.49) ALDH1A1CYP2C19MEN1CYP1A2CYP2D6
SCHEMBL3608825 0.90 SCD5 (0.53) SCD5ALDH1A1CYP2C19MEN1CYP1A2
Hydrochloric Acid SCHEMBL3616292 0.90 SLC2A1 (0.50) ALDH1A1CYP2C19MEN1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3612162 0.87 SLC2A1 (0.52) SCD5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3610936 0.84 MELK (0.60) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13504906 0.83 SLC2A1 (0.59) ALDH1A1CYP2C19MEN1CYP1A2MAPT
SCHEMBL13504916 0.82 LMNA (0.56) ALDH1A1CYP2C19MEN1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3603607 0.82 SLC2A1 (0.61) ALDH1A1CYP2C19MEN1CYP1A2MAPT
Hydrochloric Acid SCHEMBL3611947 0.82 LMNA (0.56) ALDH1A1CYP2C19MEN1CYP1A2CYP2D6
SCHEMBL3605849 0.80 NAMPT (0.49) SCD5CYP2C19MEN1CYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 — — US claimed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 — — 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 SCD5 4/4885AXL 4365/4885TYRO3 3446/4885

“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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