SCHEMBL17905090

SCHEMBL17905090

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2cccc(F)c2)C2CCCC2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ KDR P35968 3/20 0.33
▸ MET P08581 2/20 0.33
▸ APLNR P35414 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ PRKG1 Q13976 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
SCHEMBL17905632 0.93 KMT2A (0.38) MEN1ALDH1A1MAPK1KMT2AROCK2
SCHEMBL17905151 0.91 SMN1; SMN2 (0.33) HCRTR1HCRTR2ALDH1A1KDRMET
SCHEMBL17904858 0.91 ALDH1A1 (0.36) HCRTR1HCRTR2MEN1ALDH1A1MAPK1
SCHEMBL17904980 0.90 HTT (0.37) MEN1ALDH1A1MAPK1KMT2AKDR
SCHEMBL17896206 0.90 HTT (0.37) MEN1ALDH1A1MAPK1KMT2AKDR
SCHEMBL17905086 0.90 ALDH1A1 (0.35) HCRTR1HCRTR2MEN1ALDH1A1MAPK1
SCHEMBL17905550 0.89 MTNR1A (0.36) MEN1ALDH1A1MAPK1KMT2AROCK2
SCHEMBL17905181 0.89 HCRTR1 (0.33) HCRTR1HCRTR2MEN1ALDH1A1MAPK1
SCHEMBL17905551 0.87 ALDH1A1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL17905161 0.87 APLNR (0.33) HCRTR1HCRTR2MEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO 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-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 HCRTR1 575/4885HCRTR2 655/4885MEN1 2200/4885

“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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