SCHEMBL4334724

SCHEMBL4334724

Cc1ccc(C)n1-c1cc(CC#N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
ENPP2 Q13822 1/20 0.33
TGFBR1 P36897 1/20 0.32
MMP3 P08254 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDPK1 O15530 1/20 0.31
AKT1 P31749 1/20 0.31
MAPK10 P53779 4/20 0.30
ATM Q13315 1/20 0.30
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL18585998 0.78 ALDH1A1 (0.36) KDM4EALDH1A1L3MBTL1LMNALOXL2
SCHEMBL4593796 0.78 RECQL (0.47) KDM4EALDH1A1L3MBTL1LMNALOXL2
SCHEMBL13040657 0.77 ALDH1A1 (0.36) KDM4EALDH1A1L3MBTL1LMNALOXL2
SCHEMBL29841095 0.75 GRM5 (0.46) KDM4EENPP2TGFBR1MMP3TDP1
SCHEMBL1925278 0.75 GRM5 (0.46) KDM4EENPP2TGFBR1MMP3TDP1
SCHEMBL13040670 0.75 ALDH1A1 (0.35) KDM4EALDH1A1L3MBTL1LMNALOXL2
SCHEMBL31068661 0.73 CCR1 (0.59) KDM4EALDH1A1LMNAENPP2TGFBR1
SCHEMBL6619720 0.71 ALDH1A1 (0.57) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL3676475 0.71 ENPP2 (0.40) KDM4EL3MBTL1LOXL2ENPP2TGFBR1
SCHEMBL4594579 0.70 AKT1 (0.36) ALDH1A1LMNAAKT1

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-8207203-B2 Pyridylisoxazole derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 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-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 KDM4E 1377/4885ALDH1A1 1590/4885L3MBTL1 2048/4885

“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.