SCHEMBL4550260

SCHEMBL4550260

CCN1CCC(C2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
GNAI3 P08754 4/20 0.37
GNAO1 P09471 4/20 0.37
GNAI1 P63096 4/20 0.37
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL27276645 0.90 SMN1; SMN2 (0.41) SMN1; SMN2GNAI3GNAO1GNAI1KMT2A
SCHEMBL22819552 0.83 SMN1; SMN2 (0.48) SMN1; SMN2GNAI3GNAO1GNAI1KMT2A
SCHEMBL6921678 0.83 SMN1; SMN2 (0.48) SMN1; SMN2GNAI3GNAO1GNAI1KMT2A
SCHEMBL3478353 0.82 ATM (0.33) GAA
SCHEMBL3478138 0.82 SMN1; SMN2 (0.45) SMN1; SMN2GNAI3GNAO1GNAI1KDM4E
SCHEMBL13548814 0.78 SMN1; SMN2 (0.45) SMN1; SMN2GNAI3GNAO1GNAI1KDM4E
SCHEMBL3421686 0.77 PIK3CD (0.42) SMN1; SMN2KMT2AKDM4E
SCHEMBL13462652 0.76 GNAI3 (0.59) SMN1; SMN2GNAI3GNAO1GNAI1KDM4E
SCHEMBL7733573 0.76 HSD11B1 (0.47) SMN1; SMN2GNAI3GNAO1GNAI1KDM4E
SCHEMBL19416662 0.75 SMN1; SMN2 (0.46) SMN1; SMN2GNAI3GNAO1GNAI1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
US-20140371199-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-12-18 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885GNAI3 887/4885GNAO1 1228/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 SMN1; SMN2 3259/4885GNAI3 399/4885GNAO1 1067/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD SMN1; SMN2 2248/4885GNAI3 786/4885GNAO1 1325/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR SMN1; SMN2 4772/4885GNAI3 3623/4885GNAO1 3709/4885
US-20140371199-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 SMN1; SMN2 757/4885GNAI3 727/4885GNAO1 1562/4885

“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.