SCHEMBL357787

SCHEMBL357787

Cn1c(OC2CCN(C(=O)OC(C)(C)C)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.44
RECQL P46063 1/20 0.42
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
PIK3CG P48736 3/20 0.41
ATR Q13535 2/20 0.41
AURKB Q96GD4 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNF P01375 1/20 0.40
HDAC1 Q13547 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL358553 0.92 PIK3CD (0.46) PIK3CDRECQLPIK3CAMTORPIK3CG
SCHEMBL2673862 0.85 PIK3CA (0.44) PIK3CDRECQLPIK3CAMTORPIK3CG
SCHEMBL18032516 0.83 TNF (0.42) PIK3CDPIK3CASMN1; SMN2TNFHDAC1
SCHEMBL2675654 0.82 PIK3CA (0.42) PIK3CDRECQLPIK3CAMTORPIK3CG
SCHEMBL2674297 0.82 PIK3CD (0.44) PIK3CDRECQLPIK3CAMTORPIK3CG
SCHEMBL30254737 0.80 HDAC1 (0.43) PIK3CDRECQLPIK3CAMTORPIK3CG
SCHEMBL358089 0.80 TNF (0.48) PIK3CDPIK3CASMN1; SMN2TNFHDAC1
SCHEMBL18032506 0.80 TNF (0.41) PIK3CDPIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL362572 0.80 PIK3CD (0.42) PIK3CDPIK3CAPIK3CGSMN1; SMN2TNF
SCHEMBL18032509 0.79 TNF (0.55) PIK3CDPIK3CASMN1; SMN2TNFHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059238-B1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2020-05-27 EP disclosed
US-9656996-B2 Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-9656996-B2 Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
US-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
EP-3059238-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2016-08-24 EP disclosed
EP-2593455-B1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
EP-2593455-A1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (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-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF PIK3CA, PIK3CD, PIK3R5 PIK3CD 2/4885RECQL 3111/4885PIK3CA 1/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CD 2/4885RECQL 198/4885PIK3CA 1/4885

“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.