SCHEMBL1899294

SCHEMBL1899294

N#CCC(=O)N1CC(O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 5/20 0.38
PDK1 Q15118 1/20 0.37
MCL1 Q07820 2/20 0.36
CYP3A4 P08684 1/20 0.34
JAK3 P52333 8/20 0.34
JAK1 P23458 4/20 0.34
JAK2 O60674 5/20 0.32
ROCK2 O75116 2/20 0.32
MARK3 P27448 2/20 0.32
TYK2 P29597 2/20 0.32
PRKCD Q05655 2/20 0.32
STK3 Q13188 2/20 0.32
ROCK1 Q13464 2/20 0.32
CAMK2D Q13557 2/20 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
SCHEMBL8070938 0.92 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL18525632 0.81 CHRM2 (0.44) ALDH1A1MEN1MAPTKMT2AJAK3
SCHEMBL15014577 0.81 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL12683459 0.81 MEN1 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL19014106 0.81 MCL1 (0.39) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL12683417 0.81 MEN1 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL16478644 0.79 IRAK4 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL13741354 0.79 GPR119 (0.43) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL15077584 0.78 HSD11B1 (0.46) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL12424315 0.78 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AKDM4E

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-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
EP-2558099-A2 KINASE INHIBITORS The Regents Of The University Of California, San Francisco (US) 2013-02-20 EP disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO disclosed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 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-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 ALDH1A1 3765/4885MEN1 3425/4885MAPT 3507/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 ALDH1A1 3765/4885MEN1 3425/4885MAPT 3507/4885

“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.