SCHEMBL21870593

SCHEMBL21870593

CC(C)CN1CC2COCC2C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.52
HRH3 Q9Y5N1 1/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL21870605 0.95 PIK3CD (0.52) PIK3CDHRH3CYP2D6SMN1; SMN2POLB
SCHEMBL18926695 0.85 PIK3CD (0.58) PIK3CDHRH3CYP2D6SMN1; SMN2POLB
SCHEMBL29328614 0.80 GBA1 (0.36) PIK3CDSMN1; SMN2POLB
SCHEMBL25124999 0.79 PIK3CD (0.34) PIK3CD
SCHEMBL3423064 0.78 PIK3CD (0.53) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL24842077 0.78 PIK3CD (0.52) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL24841928 0.78 PIK3CD (0.58) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL3420067 0.77 PIK3CD (0.42) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL23716220 0.76 PIK3CD (0.50) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL17285927 0.76 PIK3CD (0.50) PIK3CDHRH3CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718620-B2 Method for treating a cancer mediated by abnormality of multi-kinases TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-08-08 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230129164-A1 NOVEL USE OF MULTIKINASE INHIBITOR TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-04-27 US disclosed
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-20 US disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
US-20210221796-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2021-07-22 US disclosed
WO-2020061375-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2020-03-26 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 (5 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-20210221796-A1 ANTIBACTERIAL COMPOUNDS SPOUT1, MRPL21, NRDC PIK3CD 913/4885HRH3 3748/4885CYP2D6 2814/4885
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 PIK3CD 1225/4885HRH3 376/4885CYP2D6 3927/4885
US-20230129164-A1 NOVEL USE OF MULTIKINASE INHIBITOR MAP2K5, MAP3K11, MAP3K1 PIK3CD 96/4885HRH3 4070/4885CYP2D6 2986/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 PIK3CD 1321/4885HRH3 211/4885CYP2D6 128/4885
US-11718620-B2 Method for treating a cancer mediated by abnormality of multi-kinases MAP3K1, MAP3K5, MAP3K2 PIK3CD 572/4885HRH3 2008/4885CYP2D6 3593/4885

“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.