SCHEMBL12422200

SCHEMBL12422200

COc1cc(C)c2c3c(n(C)c2c1)-c1ccc(F)cc1C3

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
WDR5 P61964 5/20 0.33
MAPK14 Q16539 2/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
PGR P06401 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NTRK1 P04629 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
SCHEMBL2298159 0.85 CA1 (0.35) CA1CA2CA4CA6PGR
SCHEMBL2292309 0.76 MAOA (0.47) MAOACA1CA2CA4CA6
SCHEMBL12422155 0.72 CA1 (0.52) MAPK14CA1CA2CA4CA6
SCHEMBL12382619 0.66 HTR2A (0.37) KMT2AACHEALDH1A1
SCHEMBL2295376 0.65 ATM (0.46) KMT2ACA1CA2CA4CA6
SCHEMBL2299111 0.63 PARP1 (0.46) MAOAKMT2ACA1CA2CA4
SCHEMBL12601836 0.61 HTR5A (0.43) KMT2AACHEALDH1A1HTTNTRK1
SCHEMBL17697978 0.61 DRD2 (0.56) KMT2ACA1CA2CA4CA6
SCHEMBL2296035 0.61 CA1 (0.53) MAOAKMT2ACA1CA2CA4
SCHEMBL7169702 0.61 METAP1 (0.51) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519122-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-27 US disclosed
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 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 (1 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-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 MAOA 1070/4885WDR5 3985/4885MAPK14 4044/4885

“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.