SCHEMBL5210803

SCHEMBL5210803

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
CETP P11597 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
STAT3 P40763 1/20 0.41
MKNK2 Q9HBH9 1/20 0.40
TP53 P04637 2/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNKS O95271 1/20 0.38
SMO Q99835 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL5211421 0.93 TNKS (0.42) ALDH1A1LMNAMAPTTNKSCNR2
SCHEMBL5211745 0.92 MAPT (0.41) TRPV1ALDH1A1HPGDTP53MAPT
SCHEMBL5208205 0.91 TP53 (0.42) CETPALDH1A1LMNATP53MAPT
SCHEMBL5215192 0.91 PIN1 (0.43) AURKACETPMAPTTNKS
SCHEMBL5212278 0.90 TP53 (0.52) CETPTRPV1LMNATP53MAPT
SCHEMBL5211116 0.89 MAPT (0.38) AURKAKDRAURKBCETPALDH1A1
SCHEMBL5208185 0.89 ENPP2 (0.42) ALDH1A1LMNAHPGDMKNK2TP53
SCHEMBL5207954 0.88 RAB9A (0.42) ALDH1A1TP53MAPTTNKS
SCHEMBL5207013 0.87 MAPT (0.39) CETPALDH1A1LMNAHPGDTP53
SCHEMBL5208761 0.87 POLB (0.44) CETPLMNAMAPTTNKS

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 AURKA 4045/4885KDR 961/4885AURKB 3790/4885

“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.