SCHEMBL11908075

SCHEMBL11908075

CC(=O)Nc1cccc(-c2ncc(N)c(C(=O)O)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
STAT1 P42224 1/20 0.50
CHEK2 O96017 1/20 0.49
FYN P06241 2/20 0.48
USP7 Q93009 2/20 0.48
ATR Q13535 3/20 0.47
MAP4K4 O95819 1/20 0.47
BRAF P15056 1/20 0.47
TSHR P16473 1/20 0.47
NQO2 P16083 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA2 P00918 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL27664415 0.83 MAPT (0.56) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL319097 0.78 MEN1 (0.48) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27729738 0.78 MAP4K4 (0.50) MAPTNPC1RAB9APOLBATR
SCHEMBL11907464 0.77 ATR (0.47) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25053115 0.74 JAK3 (0.57) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7705979 0.72 ALDH1A1 (0.58) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3462149 0.71 ATR (0.67) TP53NPC1RAB9ASMN1; SMN2STAT1
SCHEMBL14606449 0.71 MAPT (0.58) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3786463 0.70 NQO2 (0.73) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1749196 0.70 MEN1 (0.59) TP53MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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 (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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TP53 59/4885MAPT 4106/4885NPC1 4325/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TP53 59/4885MAPT 4106/4885NPC1 4325/4885

“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.