SCHEMBL7644972

SCHEMBL7644972

N#Cc1ccc(C(=O)NCCCNC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
EPHX2 P34913 5/20 0.57
NAMPT P43490 1/20 0.55
TMEM97 Q5BJF2 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
DPP4 P27487 2/20 0.51
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
CCR3 P51677 1/20 0.51
CD274 Q9NZQ7 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
GFER P55789 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL19133513 0.95 NAMPT (0.61) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL5536198 0.90 NAMPT (0.64) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL5546309 0.88 NAMPT (0.67) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL20707157 0.88 NAMPT (0.67) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL5543873 0.88 NAMPT (0.67) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL5515823 0.88 NAMPT (0.67) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL6948202 0.86 SIGMAR1 (0.57) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL17623676 0.85 SIGMAR1 (0.60) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL6939009 0.84 HDAC3 (0.58) SIGMAR1EPHX2NAMPTTMEM97MEN1
SCHEMBL6358663 0.84 MGLL (0.62) SIGMAR1EPHX2NAMPTTMEM97MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196194-B1 PYRIMIDINE DERIVATIVES USEFUL AS SELECTIVE JAK3 AND/OR JAK1 INHIBITORS SHENZHEN CHIPSCREEN BIOSCIENCES LTD (CN) 2019-08-07 EP disclosed
US-10011571-B2 Preparation method for aromatic heterocyclic compound used as selective JAK3 and/or JAK1 kinase inhibitor and application of aromatic heterocyclic compound SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (CN) 2018-07-03 US disclosed
US-20170253566-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (CN) 2017-09-07 US disclosed
EP-3196194-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND Shenzhen Chipscreen Biosciences, Ltd. (CN) 2017-07-26 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 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 (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-10011571-B2 Preparation method for aromatic heterocyclic compound used as selective JAK3 and/or JAK1 kinase inhibitor and application of aromatic heterocyclic compound JAK3, JAK1, JAK2 SIGMAR1 3019/4885EPHX2 3017/4885NAMPT 2038/4885
US-20170253566-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND JAK3, JAK1, JAK2 SIGMAR1 3019/4885EPHX2 3017/4885NAMPT 2038/4885

“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.