SCHEMBL9928825

SCHEMBL9928825

COc1c(C(C)=O)cc(F)c(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PTPN1 P18031 2/20 0.36
HTT P42858 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
IMPDH2 P12268 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9929296 0.80 HSD17B10 (0.40) MAPTSMN1; SMN2RAB9AHSD17B10PTPN1
SCHEMBL9928735 0.77 HDAC1 (0.39) MAPTSMN1; SMN2HSD17B10PTPN1HTT
SCHEMBL20858723 0.76 SMN1; SMN2 (0.38) MAPTSMN1; SMN2HTTTSHRALDH1A1
SCHEMBL9929117 0.75 SMN1; SMN2 (0.38) MAPTSMN1; SMN2RAB9AHSD17B10PTPN1
SCHEMBL5435743 0.75 HTT (0.40) MAPTSMN1; SMN2HTTTSHRALDH1A1
SCHEMBL25256255 0.72 HSD17B10 (0.54) MAPTRAB9AHSD17B10PTPN1HTT
SCHEMBL22400450 0.72 HDAC1 (0.42) MAPTSMN1; SMN2RAB9AHSD17B10HDAC1
SCHEMBL30930876 0.72 HSD17B10 (0.50) MAPTSMN1; SMN2RAB9AHSD17B10PTPN1
SCHEMBL21932900 0.72 HDAC1 (0.42) MAPTSMN1; SMN2RAB9AHSD17B10HDAC1
SCHEMBL24720833 0.72 HSD17B10 (0.50) MAPTSMN1; SMN2RAB9AHSD17B10PTPN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2015-10-08 US disclosed
US-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
US-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
US-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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 (3 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 MAPT 3765/4885SMN1; SMN2 2711/4885RAB9A 409/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB MAPT 3765/4885SMN1; SMN2 2711/4885RAB9A 409/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB MAPT 3765/4885SMN1; SMN2 2711/4885RAB9A 409/4885

“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.