SCHEMBL1887466

SCHEMBL1887466

[NH]c1ccc2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.63
▸ MAPT P10636 5/20 0.63
▸ KDM4E B2RXH2 4/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ HPGD P15428 2/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ KCNH2 Q12809 2/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ S1PR1 P21453 1/20 0.40

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
SCHEMBL10694441 0.80 KDM4E (0.65) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL11742673 0.79 MAPT (0.63) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL27796465 0.79 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL521212 0.79 MAPT (0.97) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL30016904 0.79 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL16042060 0.79 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL9866412 0.79 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL436153 0.79 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL28167937 0.76 SMN1; SMN2 (0.76) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL23717308 0.75 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EHSD17B10HPGD

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-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 — — US claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 — — 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-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 ALDH1A1 1043/4885MAPT 4235/4885KDM4E 2179/4885

“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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