SCHEMBL1947715

SCHEMBL1947715

N=C(N)c1ccc[c]c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.37
PRSS1 P07477 3/20 0.35
PRSS3 P35030 3/20 0.35
PRSS2 P07478 2/20 0.35
C1S P09871 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
F2 P00734 3/20 0.33
F10 P00742 1/20 0.33
F12 P00748 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PKM P14618 1/20 0.33
PLG P00747 1/20 0.31
APEX1 P27695 1/20 0.31
LMNA P02545 1/20 0.30
KLK1 P06870 1/20 0.30
KLK5 Q9Y337 1/20 0.30

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
SCHEMBL3980872 0.79 KDM4E (0.43)
SCHEMBL5907451 0.77 F2 (0.34) BLMPRSS1PRSS3PRSS2C1S
SCHEMBL8948745 0.77 F2 (0.34) BLMPRSS1PRSS3PRSS2C1S
SCHEMBL1947510 0.75 LMNA (0.34) BLMPRSS1PRSS3PRSS2C1S
SCHEMBL1948316 0.75 F2 (0.33) BLMPRSS1PRSS3PRSS2C1S
SCHEMBL3093108 0.72 ALDH1A1 (0.48) BLM
SCHEMBL8173117 0.72 NQO2 (0.31) BLMPRSS1PRSS3PRSS2F10
Hydrochloric Acid SCHEMBL29008442 0.71 BLM (0.57) BLMPRSS1PRSS3PRSS2C1S
Hydrochloric Acid SCHEMBL28555632 0.71 BLM (0.57) BLMPRSS1PRSS3PRSS2C1S
Hydrochloric Acid SCHEMBL319729 0.71 CES2 (0.50) BLMPRSS1PRSS3PRSS2C1S

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-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2373634-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 BLM 1316/4885PRSS1 405/4885PRSS3 1230/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 BLM 1316/4885PRSS1 405/4885PRSS3 1230/4885

“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.