SCHEMBL4154310

SCHEMBL4154310

C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.41
XDH P47989 3/20 0.40
AAK1 Q2M2I8 7/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCB1 P08183 1/20 0.38
CYP17A1 P05093 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PHGDH O43175 1/20 0.37

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
SCHEMBL3672641 1.00 CTSK (0.41) CTSKXDHAAK1MEN1KMT2A
SCHEMBL4162120 1.00 CTSK (0.41) CTSKXDHAAK1MEN1KMT2A
SCHEMBL31226247 0.85 KMT2A (0.44) CTSKAAK1MEN1KMT2A
SCHEMBL8216304 0.81 ROCK2 (0.53) CTSKAAK1ABCB1CYP17A1MAPK1
SCHEMBL9930795 0.81 ROCK2 (0.53) CTSKAAK1ABCB1CYP17A1MAPK1
SCHEMBL9930794 0.81 ROCK2 (0.53) CTSKAAK1ABCB1CYP17A1MAPK1
SCHEMBL1754171 0.80 SMN1; SMN2 (0.53) CTSKAAK1MEN1KMT2ALMNA
SCHEMBL256792 0.80 SMN1; SMN2 (0.53) CTSKAAK1MEN1KMT2ALMNA
SCHEMBL167410 0.80 SMN1; SMN2 (0.53) CTSKAAK1MEN1KMT2ALMNA
SCHEMBL3378929 0.80 CYP17A1 (0.56) MEN1KMT2ACYP17A1MAPK1

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CTSK 4717/4885XDH 291/4885AAK1 1365/4885

“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.