SCHEMBL11900964

SCHEMBL11900964

[CH2]Nc1cnccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ULK1 O75385 1/20 0.38
POLB P06746 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
IDH2 P48735 1/20 0.34
KIF11 P52732 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
SCHEMBL3433340 0.80 AOC1 (0.47) GAAMAPTGSK3AGSK3BALDH1A1
SCHEMBL3280218 0.80 ALDH1A1 (0.52) GAAMAPTGSK3AGSK3BALDH1A1
SCHEMBL11900949 0.79 GAA (0.43) GAAMAPTGSK3AGSK3BALDH1A1
Hydrochloric Acid SCHEMBL1964472 0.78 AOC1 (0.49) GAAMAPTGSK3AGSK3BALDH1A1
SCHEMBL10202589 0.77 LATS1 (0.46) GAAMAPTGSK3AGSK3BALDH1A1
SCHEMBL10264132 0.76 AOC1 (0.51) GAAMAPTGSK3AGSK3BALDH1A1
SCHEMBL20772453 0.73 KIF11 (0.41) GAAMAPTGSK3AGSK3BALDH1A1
SCHEMBL23060423 0.73 GAA (0.57) GAAMAPTGSK3AGSK3BALDH1A1
SCHEMBL26624210 0.73 GAA (0.57) GAAMAPTGSK3AGSK3BALDH1A1
SCHEMBL1311354 0.72 KIF11 (0.41) GAAMAPTALDH1A1KDM4ESMN1; SMN2

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-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
CN-102482232-A Novel pyrimidine and triazine hepcidin antagonists VIFOR INT AG 2012-05-30 CN 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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 GAA 1717/4885MAPT 4432/4885GSK3A 4214/4885

“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.