SCHEMBL358553

SCHEMBL358553

Cn1c(OC2CN(C(=O)OC(C)(C)C)C2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.46
HDAC1 Q13547 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 4/20 0.38
PIK3R1 P27986 3/20 0.38
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
ATR Q13535 1/20 0.37
AURKB Q96GD4 1/20 0.37
RECQL P46063 1/20 0.36
TNF P01375 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL357787 0.92 PIK3CD (0.44) PIK3CDHDAC1USP2SMN1; SMN2PIK3CA
SCHEMBL357452 0.85 PIK3CD (0.61) PIK3CDHDAC1SMN1; SMN2PIK3CATNF
SCHEMBL30254737 0.85 HDAC1 (0.43) PIK3CDHDAC1USP2SMN1; SMN2PIK3CA
SCHEMBL358520 0.85 PIK3CD (0.38) PIK3CDHDAC1USP2SMN1; SMN2PIK3CA
SCHEMBL362572 0.84 PIK3CD (0.42) PIK3CDHDAC1SMN1; SMN2PIK3CAPIK3CG
SCHEMBL2674297 0.81 PIK3CD (0.44) PIK3CDHDAC1USP2SMN1; SMN2PIK3CA
SCHEMBL2673862 0.80 PIK3CA (0.44) PIK3CDHDAC1USP2SMN1; SMN2PIK3CA
SCHEMBL18032516 0.80 TNF (0.42) PIK3CDHDAC1SMN1; SMN2PIK3CATNF
SCHEMBL2674537 0.79 HDAC1 (0.41) PIK3CDHDAC1USP2SMN1; SMN2PIK3CA
SCHEMBL18032512 0.78 HDAC1 (0.42) PIK3CDHDAC1SMN1; SMN2PIK3CATNF

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
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
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

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 2/4885HDAC1 344/4885USP2 3741/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CD 2/4885HDAC1 3977/4885USP2 1972/4885

“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.