SCHEMBL3615752

SCHEMBL3615752

O=C(/C(=N/O)c1ccnc(F)c1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PFKFB3 Q16875 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3615754 1.00 BRAF (0.44) BRAFCES2CES1HTTLMNA
SCHEMBL828398 0.88 CES2 (0.44) BRAFCES2CES1TAS1R3TAS1R1
SCHEMBL830162 0.88 CES2 (0.44) BRAFCES2CES1TAS1R3TAS1R1
SCHEMBL828659 0.88 CES2 (0.44) BRAFCES2CES1TAS1R3TAS1R1
SCHEMBL2847108 0.82 LTA4H (0.41) BRAFCES2CES1TAS1R3TAS1R1
SCHEMBL2847107 0.82 LTA4H (0.41) BRAFCES2CES1TAS1R3TAS1R1
SCHEMBL5762359 0.81 TSHR (0.39) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5762364 0.81 TSHR (0.39) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4459279 0.80 CES2 (0.42) CES2CES1HTTNPC1RAB9A
SCHEMBL4459277 0.80 CES2 (0.42) CES2CES1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032141-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-31 EP disclosed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 US disclosed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 US disclosed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 US disclosed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 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-20090306071-A1 Inhibitors of Janus Kinases JAK2, JAK3, JAK1 BRAF 412/4885CES2 4855/4885CES1 4585/4885

“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.