SCHEMBL5212595

SCHEMBL5212595

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
KDR P35968 1/20 0.38
NEK2 P51955 1/20 0.38
PLK1 P53350 1/20 0.38
LIMK1 P53667 1/20 0.38
STK3 Q13188 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
DYRK1A Q13627 1/20 0.38
CAMK1 Q14012 1/20 0.38
PKN2 Q16513 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
BRSK1 Q8TDC3 1/20 0.38
AURKB Q96GD4 1/20 0.38
SLK Q9H2G2 1/20 0.38
PLK3 Q9H4B4 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
SCHEMBL5210908 0.90 PKM (0.42) CNR1L3MBTL1MEN1KMT2A
SCHEMBL5210428 0.90 ENPP2 (0.45) CNR1L3MBTL1KMT2AENPP2ALDH1A1
SCHEMBL5208185 0.88 ENPP2 (0.42) MKNK2L3MBTL1MEN1KMT2AENPP2
SCHEMBL5211863 0.87 CNR1 (0.42) CNR1L3MBTL1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL5206933 0.87 ENPP2 (0.47) L3MBTL1MEN1KMT2AENPP2TDP1
SCHEMBL5209979 0.86 CNR1 (0.39) CNR1L3MBTL1KMT2AENPP2P2RX7
SCHEMBL5212575 0.86 ENPP2 (0.49) CNR1L3MBTL1MEN1KMT2AENPP2
SCHEMBL5207508 0.86 ALDH1A1 (0.46) CNR1L3MBTL1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL5213032 0.86 TP53 (0.49) MEN1KMT2ATDP1
SCHEMBL5211686 0.85 ALDH1A1 (0.40) CNR1ENPP2P2RX7ALDH1A1SMN1; 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 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 ACHE 2657/4885MAP4K4 2717/4885CSF1R 1637/4885

“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.