SCHEMBL788491

SCHEMBL788491

Cn1c(C(=O)NCC2CC2)nc2c(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.57
PIK3R1 P27986 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 3/20 0.43
SORD Q00796 1/20 0.42
CNR1 P21554 4/20 0.40
CNR2 P34972 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LDHA P00338 1/20 0.37

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
SCHEMBL788586 0.92 PIK3CD (0.57) PIK3CDPIK3R1SMN1; SMN2SORDCNR1
SCHEMBL18175791 0.79 PIK3CD (0.63) PIK3CDPIK3R1CNR1CNR2POLB
SCHEMBL806202 0.79 PIK3CD (0.66) PIK3CDPIK3R1SMN1; SMN2CNR1CNR2
SCHEMBL787665 0.77 PIK3CD (0.61) PIK3CDPIK3R1SMN1; SMN2CNR1CNR2
SCHEMBL788012 0.77 PIK3CD (0.63) PIK3CDPIK3R1CNR1CNR2RXFP1
SCHEMBL795508 0.76 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2
SCHEMBL806325 0.76 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2
SCHEMBL793688 0.76 PIK3CD (0.65) PIK3CDPIK3R1ALDH1A1POLB
SCHEMBL806116 0.76 PIK3CD (0.60) PIK3CDPIK3R1CNR1CNR2
SCHEMBL798997 0.76 PIK3CD (0.61) PIK3CDPIK3R1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP claimed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US claimed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US claimed
EP-2616469-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP claimed
EP-2607371-A1 Processes for the preparation of abiraterone and related compouds Crystal Pharma, S.A.U. (ES) 2013-06-26 EP claimed
US-8313978-B2 Organic semiconductor copolymers containing oligothiophene and n-type heteroaromatic units SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-11-20 US claimed
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO claimed
US-20080224130-A1 ORGANIC SEMICONDUCTOR COPOLYMERS CONTAINING OLIGOTHIOPHENE AND n-TYPE HETEROAROMATIC UNITS SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-09-18 US claimed
US-20060006379-A1 Organic semiconductor copolymers containing oligothiophene and n-type heteroaromatic units SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-01-12 US claimed
EP-1615237-A1 Organic semiconductor copolymers containing oligothiophene and n-type heteroaromatic units Samsung Electronics Co., Ltd (KR) 2006-01-11 EP claimed
US-12492180-B2 Process and intermediates for the preparation of Voxelotor CURIA SPAIN, S.A.U. (ES) 2025-12-09 US disclosed
US-20220073493-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF VOXELOTOR CURIA SPAIN, S.A.U. (ES) 2022-03-10 US disclosed
US-9879025-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-02-02 US disclosed
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP disclosed
EP-2616469-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP disclosed
EP-2607371-A1 Processes for the preparation of abiraterone and related compouds Crystal Pharma, S.A.U. (ES) 2013-06-26 EP disclosed
WO-2012037217-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO 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 (4 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-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885PIK3R1 6/4885SMN1; SMN2 3939/4885
US-20220073493-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF VOXELOTOR VPS51, KIF15, VAT1 PIK3CD 1139/4885PIK3R1 2063/4885SMN1; SMN2 229/4885
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS HVCN1, KCNQ4, KCNQ5 PIK3CD 3057/4885PIK3R1 4756/4885SMN1; SMN2 4225/4885
US-12492180-B2 Process and intermediates for the preparation of Voxelotor VPS51, KIF15, VAT1 PIK3CD 1139/4885PIK3R1 2063/4885SMN1; SMN2 229/4885

“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.