SCHEMBL1136784

SCHEMBL1136784

O=[N+]([O-])c1ccc(Oc2ccnc(Cl)n2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.54
S1PR4 O95977 2/20 0.47
MET P08581 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PIN1 Q13526 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE7A Q13946 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL31011690 0.81 HSPB1 (0.49) HSPB1S1PR4METMEN1KMT2A
SCHEMBL31011697 0.81 MEN1 (0.50) HSPB1S1PR4METMEN1KMT2A
SCHEMBL31011650 0.81 HSPB1 (0.46) HSPB1S1PR4MEN1KMT2APIN1
SCHEMBL198095 0.80 HSPB1 (0.55) HSPB1S1PR4MEN1KMT2APIN1
SCHEMBL31011634 0.80 HSPB1 (0.45) HSPB1S1PR4METMEN1KMT2A
SCHEMBL31011653 0.80 HSPB1 (0.45) HSPB1S1PR4METMEN1KMT2A
SCHEMBL3664382 0.79 HSPB1 (0.51) HSPB1S1PR4METMEN1KMT2A
SCHEMBL26608049 0.79 HSPB1 (0.53) HSPB1S1PR4MEN1KMT2AALDH1A1
SCHEMBL31011643 0.79 HSPB1 (0.44) HSPB1S1PR4METMEN1KMT2A
SCHEMBL3176280 0.77 RAB9A (0.54) HSPB1MEN1KMT2APIN1ALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128199-B Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-07-24 CN disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
EP-1737451-B1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
EP-1737451-B1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 WO disclosed
CN-101128199-A Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-02-20 CN disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 EP disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 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 (3 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 HSPB1 3174/4885S1PR4 3041/4885MET 545/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 HSPB1 2521/4885S1PR4 3277/4885MET 162/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 HSPB1 2521/4885S1PR4 3277/4885MET 162/4885

“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.