SCHEMBL1308599

SCHEMBL1308599

O=C(O)c1cc(Br)ccc1NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.61
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
NPC1 O15118 4/20 0.54
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
MAPT P10636 3/20 0.50
CFTR P13569 1/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
STING1 Q86WV6 2/20 0.47
GFER P55789 1/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL28577422 0.84 MEN1 (0.65) MEN1KMT2ANPC1CFTRGFER
SCHEMBL8258117 0.79 NPC1 (0.65) MEN1KMT2ANPC1MAPTCFTR
SCHEMBL20567704 0.79 STING1 (0.64) MEN1KMT2ANPC1CFTRSTING1
SCHEMBL1310012 0.79 AKR1C2 (0.60) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL1307732 0.78 GFER (0.76) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL29176358 0.78 STING1 (0.67) MEN1KMT2ANPC1CFTRSTING1
SCHEMBL30912928 0.78 STING1 (0.67) MEN1KMT2ANPC1CFTRSTING1
SCHEMBL27075304 0.78 NPC1 (0.68) MEN1KMT2ANPC1CFTRKDM4E
SCHEMBL29176616 0.78 CFTR (0.58) MEN1KMT2ANPC1CFTRPOLB
SCHEMBL92350 0.78 NPC1 (0.57) MEN1KMT2ANPC1MAPTCFTR

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 6 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
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO 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
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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 (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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 CDK2 198/4885MEN1 2312/4885KMT2A 1570/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CDK2 4509/4885MEN1 4132/4885KMT2A 2853/4885

“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.