SCHEMBL423261

SCHEMBL423261

Cc1cnc(-c2cccn2C(=O)OC(C)(C)C)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
TNK2 Q07912 1/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BUB1 O43683 1/20 0.39
ATR Q13535 1/20 0.39
BCHE P06276 1/20 0.36
GRM5 P41594 1/20 0.35
POLB P06746 1/20 0.35
MET P08581 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 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
SCHEMBL29797726 0.84 HSP90AA1 (0.54) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL23416984 0.84 HSP90AA1 (0.54) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL12248228 0.83 HSP90AA1 (0.50) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL29797915 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL23416981 0.81 HSP90AA1 (0.53) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL23416936 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL29797892 0.81 HSP90AA1 (0.53) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL22940781 0.80 HSP90AA1 (0.58) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL23416942 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL16880609 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 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 (2 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HSP90AA1 3062/4885HSP90AB1 2971/4885TNK2 1421/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HSP90AA1 3062/4885HSP90AB1 2971/4885TNK2 1421/4885

“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.