SCHEMBL5212615

SCHEMBL5212615

COC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
FGFR1 P11362 1/20 0.40
MKNK2 Q9HBH9 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
NR2E1 Q9Y466 1/20 0.37
CFTR P13569 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PTPN1 P18031 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5211558 0.90 MAPK14 (0.41) ALDH1A1GAAFGFR1MKNK2MKNK1
SCHEMBL5209069 0.90 MKNK2 (0.44) ALDH1A1FGFR1MKNK2MKNK1LMNA
SCHEMBL5211580 0.89 RXRA (0.42) ALDH1A1GAAMKNK2LMNAHPGD
SCHEMBL5212186 0.88 HTT (0.46) ALDH1A1GAAFGFR1MKNK2MKNK1
SCHEMBL5206674 0.84 MKNK1 (0.46) FGFR1MKNK2MKNK1MAPTRAB9A
SCHEMBL5210803 0.83 AURKA (0.43) ALDH1A1MKNK2LMNAHPGDAURKA
SCHEMBL5206515 0.82 MKNK1 (0.44) FGFR1MKNK2MKNK1MAPTRAB9A
SCHEMBL5208185 0.82 ENPP2 (0.42) ALDH1A1MKNK2LMNAHPGDMAPT
SCHEMBL1361608 0.81 PTPN1 (0.38) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL5215500 0.80 ALDH1A1 (0.39) ALDH1A1GAALMNAHPGDAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 ALDH1A1 1651/4885GAA 4803/4885FGFR1 1046/4885

“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.