SCHEMBL658937

SCHEMBL658937

CNc1nc2cccc(Br)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LDHA P00338 1/20 0.36
ALDH1A1 P00352 3/20 0.35
BACE1 P56817 1/20 0.34
IDO1 P14902 1/20 0.34
PSMB8 P28062 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL659501 0.81 POLB (0.54) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL11848824 0.79 NPC1 (0.44) APPMEN1KMT2APOLBLDHA
SCHEMBL30862384 0.79 NPC1 (0.44) APPMEN1KMT2APOLBLDHA
SCHEMBL23921280 0.79 LDHA (0.37) APPMEN1KMT2ALDHAALDH1A1
SCHEMBL1619976 0.78 MEN1 (0.63) MEN1KMT2APOLBHTTRAB9A
SCHEMBL9675948 0.78 PSMB8 (0.57) APPMEN1KMT2APOLBLDHA
SCHEMBL25156042 0.77 RAB9A (0.42) ALDH1A1BACE1PSMB8HTTRAB9A
SCHEMBL11831944 0.76 KMT2A (0.42) APPMEN1KMT2APOLBLDHA
SCHEMBL27059115 0.75 LDHA (0.40) APPMEN1KMT2ALDHAALDH1A1
SCHEMBL2749649 0.73 BACE1 (0.36) BACE1PSMB8MAPTAKR1B1HSP90AA1

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-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 APP 1663/4885MEN1 296/4885KMT2A 669/4885

“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.