SCHEMBL9971028

SCHEMBL9971028

CCc1ccc(C(=O)NC)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.53
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NR1H4 Q96RI1 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NLRP1 Q9C000 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MET P08581 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MTOR P42345 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL12722670 0.81 POLB (0.57) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL15777897 0.81 ABL1 (0.49) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL4518402 0.81 PLK1 (0.59) PLK1TDP1MAPTNR1H4LMNA
SCHEMBL11984397 0.80 SMN1; SMN2 (0.57) MAPTKDM4ENR1H4ALDH1A1SMN1; SMN2
SCHEMBL18075547 0.80 SMN1; SMN2 (0.43) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL8875590 0.80 MAPT (0.43) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL6300028 0.79 POLB (0.41) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL12109847 0.79 ADRA1D (0.51) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL4154496 0.78 KDM4E (0.67) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL29833777 0.78 KDM4E (0.67) POLBTHRBRECQLTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PLK1 241/4885POLB 1091/4885THRB 1916/4885

“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.