SCHEMBL358496

SCHEMBL358496

Cn1c(Br)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
CYP3A4 P08684 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PIK3CA P42336 5/20 0.40
PDE10A Q9Y233 2/20 0.39
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
NT5E P21589 1/20 0.36
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL30254601 1.00 HDAC1 (0.48) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A
SCHEMBL8170822 0.84 CYP3A4 (0.51) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A
SCHEMBL2674207 0.83 HDAC1 (0.45) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A
SCHEMBL25272586 0.82 CYP3A4 (0.47) HDAC1CYP3A4SMN1; SMN2PDE10AKDM4E
SCHEMBL2109473 0.82 HDAC1 (0.52) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A
SCHEMBL1114183 0.82 HDAC1 (0.47) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A
SCHEMBL28595917 0.82 HDAC1 (0.54) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A
SCHEMBL30440619 0.81 HDAC1 (0.44) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A
SCHEMBL25735607 0.81 HDAC1 (0.44) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A
SCHEMBL30440378 0.80 HDAC1 (0.39) HDAC1CYP3A4SMN1; SMN2PIK3CAPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-20240150358-A1 PURINES AND METHODS OF THEIR USE Kineta, Inc. 2024-05-09 US disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-4161519-A1 PURINES AND METHODS OF THEIR USE Yumanity Therapeutics, Inc. (US) 2023-04-12 EP disclosed
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
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 (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-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF PIK3CA, PIK3CD, PIK3R5 HDAC1 344/4885CYP3A4 340/4885SMN1; SMN2 4592/4885
US-20240150358-A1 PURINES AND METHODS OF THEIR USE PNP, NUDT1, HPRT1 HDAC1 3695/4885CYP3A4 2418/4885SMN1; SMN2 103/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG HDAC1 3977/4885CYP3A4 1297/4885SMN1; SMN2 2114/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE HDAC1 3403/4885CYP3A4 3989/4885SMN1; SMN2 77/4885

“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.