SCHEMBL29710107

SCHEMBL29710107

CC(C)(C)OC(=O)Nc1nc(Cl)cnc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.46
ATR Q13535 1/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
TRPA1 O75762 1/20 0.37
LCK P06239 3/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
SYK P43405 1/20 0.35
NAMPT P43490 1/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP17A1 P05093 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
SCHEMBL26797587 0.87 MAPKAPK2 (0.39) MAPKAPK2ATRSTK17BSTK17ALCK
SCHEMBL28816599 0.82 MAPKAPK2 (0.46) MAPKAPK2ATRSTK17BSTK17ATRPA1
SCHEMBL29844553 0.82 MAPKAPK2 (0.46) MAPKAPK2ATRSTK17BSTK17ATRPA1
SCHEMBL31132878 0.81 CCR4 (0.46) MAPKAPK2ATRSTK17BSTK17ASYK
SCHEMBL27793321 0.78 ATR (0.43) ATRSTK17BSTK17ALCKNAMPT
SCHEMBL29537838 0.78 ATR (0.44) MAPKAPK2ATRSTK17BSTK17ATRPA1
SCHEMBL16915789 0.78 GRM5 (0.34) MAPKAPK2NPC1RAB9ASMN1; SMN2
SCHEMBL2885204 0.78 MAPKAPK2 (0.41) MAPKAPK2ATRSTK17BSTK17ALCK
SCHEMBL29277697 0.77 ATR (0.49) MAPKAPK2ATRSTK17BSTK17ATRPA1
SCHEMBL31093832 0.77 ATR (0.46) MAPKAPK2ATRSTK17BSTK17ATRPA1

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-20220348553-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-11-03 US disclosed
US-11401259-B2 1-Pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2022-08-02 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 (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-11401259-B2 1-Pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 PTPN5, PTPN1, PTPN2 MAPKAPK2 387/4885ATR 1351/4885STK17B 330/4885
US-20220348553-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN2 MAPKAPK2 387/4885ATR 1351/4885STK17B 330/4885

“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.