SCHEMBL2532469

SCHEMBL2532469

COc1ccc(-c2cc3n(n2)CCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.46
TGFBR1 P36897 1/20 0.46
MAPK14 Q16539 1/20 0.45
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2525007 0.83 THRB (0.43) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL26645449 0.78 PDCD1 (0.52) SMN1; SMN2NPC1RAB9AKMT2AGAA
SCHEMBL2524849 0.74 KDM4E (0.42) LMNAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL4717227 0.72 CDC7 (0.58) SMN1; SMN2KMT2ALMNAKDM4EALDH1A1
SCHEMBL26645242 0.69 CDC7 (0.68) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL14557169 0.68 RAB9A (0.59) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL2526992 0.68 THRB (0.56) WDR5SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9199162 0.67 WDR5 (1.00) WDR5SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6693299 0.66 ATM (0.55) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL15729859 0.66 NPC1 (0.57) SMN1; SMN2NPC1RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556073-B1 BICYCLIC PYRIDINYL PYRAZOLES BAYER IP GMBH (DE) 2014-07-23 EP disclosed
US-8507472-B2 Bicyclic pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
EP-2556073-A1 BICYCLIC PYRIMIDINYL PYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
WO-2011124539-A1 BICYCLIC PYRIMIDINYL PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-10-13 WO disclosed
US-20110251178-A1 Bicyclic Pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-10-13 US 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-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR WDR5 3192/4885SMN1; SMN2 4472/4885NPC1 4033/4885

“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.