SCHEMBL2744551

SCHEMBL2744551

O=C1NCc2cc(Br)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.47
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PARP10 Q53GL7 2/20 0.41
PARP11 Q9NR21 1/20 0.41
AHR P35869 4/20 0.41
CMA1 P23946 1/20 0.40
TDP2 O95551 1/20 0.38
PARP1 P09874 1/20 0.38
PNMT P11086 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL25757905 0.79 PARP10 (0.41) GAAPARP10PARP11PARP1MEN1
SCHEMBL6128272 0.79 MEN1 (0.36) EGFRGAANPSR1MEN1MAPT
SCHEMBL6128309 0.76 ALDH1A1 (0.43) GAANPSR1MEN1MAPTKMT2A
SCHEMBL6128344 0.75 CA12 (0.38) EGFRMEN1MAPTKMT2A
SCHEMBL10060233 0.75 PARP1 (0.44) EGFRLMNANPSR1PARP1MEN1
SCHEMBL30325558 0.73 MAPT (0.36) EGFRGAANPSR1PNMTMEN1
SCHEMBL11195016 0.73 GAA (0.60) EGFRGAANPSR1PARP1MEN1
SCHEMBL147262 0.73 GAA (0.60) EGFRGAANPSR1PARP1MEN1
SCHEMBL16852147 0.72 GAA (0.44) EGFRLMNAGAAHIF1ANPSR1
SCHEMBL20821122 0.72 ABCC4 (0.34) MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
EP-2167498-B1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-09-15 EP disclosed
EP-2167498-B1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-09-15 EP disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
EP-2167498-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-03-31 EP disclosed
WO-2008157210-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-12-24 WO disclosed
WO-2008157210-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-12-24 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-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 EGFR 3652/4885LMNA 2876/4885GAA 2152/4885
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K3, IP6K2 EGFR 3732/4885LMNA 3015/4885GAA 1966/4885

“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.