SCHEMBL1307889

SCHEMBL1307889

O=C(Cc1ccccc1Cl)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 3/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BACE1 P56817 3/20 0.53
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KCNJ5 P48544 1/20 0.50
KCNJ3 P48549 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL15647914 0.86 GAA (0.56) MEN1KMT2AMAPK1KDM4EGAA
SCHEMBL1307882 0.86 MEN1 (0.59) MEN1KMT2AMAPK1KDM4EGAA
SCHEMBL28600470 0.84 KMT2A (0.66) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL15647380 0.82 KMT2A (0.67) MEN1KMT2AMAPK1KDM4ETDP1
SCHEMBL1308435 0.81 KCNJ5 (0.49) MEN1KMT2AGAALMNABACE1
SCHEMBL15741828 0.80 BACE1 (0.59) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL14075156 0.79 TRPM4 (0.67) MEN1KMT2AMAPK1KDM4ETDP1
SCHEMBL1307619 0.79 KMT2A (0.72) MEN1KMT2AKDM4ETDP1POLB
SCHEMBL1307557 0.79 TP53 (0.67) MEN1KMT2AMAPK1GAATDP1
SCHEMBL5950366 0.79 KMT2A (0.62) MEN1KMT2AMAPK1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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 (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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 MEN1 2312/4885KMT2A 1570/4885MAPK1 95/4885

“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.