SCHEMBL6378992

SCHEMBL6378992

NCCCNC(=O)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
HDAC3 O15379 4/20 0.56
HDAC1 Q13547 3/20 0.56
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOB P27338 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
POLB P06746 2/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ACKR3 P25106 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL27996132 0.93 HDAC1 (0.60) NPC1RAB9AHDAC3HDAC1HDAC6
SCHEMBL28362105 0.93 HDAC1 (0.60) NPC1RAB9AHDAC3HDAC1HDAC6
SCHEMBL14159023 0.91 CYP1A2 (0.63) NPC1RAB9ACYP1A2TSHRNFKB1
SCHEMBL3505666 0.89 CYP1A2 (0.68) NPC1RAB9AHDAC3HDAC1CYP1A2
Hydrochloric Acid SCHEMBL3945078 0.87 KMT2A (0.69) NPC1RAB9AHDAC3HDAC1CYP1A2
SCHEMBL3523157 0.85 MAPK1 (0.61) NPC1RAB9AHDAC3HDAC1CYP1A2
SCHEMBL455890 0.84 HDAC3 (0.58) NPC1RAB9AHDAC3HDAC1CYP1A2
SCHEMBL2302774 0.84 NPC1 (0.64) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL17623623 0.84 HDAC3 (0.59) NPC1RAB9AHDAC3HDAC1CYP1A2
SCHEMBL12960847 0.83 MAPK1 (0.65) NPC1RAB9AHDAC3HDAC1CYP1A2

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 19 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
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-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-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
CN-105399685-B The alternatively preparation method and applications of the heteroaromatic compounds of property JAK3 and/or JAK1 kinase inhibitors 深圳微芯生物科技有限责任公司 2018-05-22 CN 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
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
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
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
WO-2016041472-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND 深圳微芯生物科技有限责任公司 2016-03-24 WO disclosed
CN-105399685-A Preparation method and applications of aromatic heterocyclic compound adopted as selective JAK3 and/or JAK1 kinase inhibitor SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2016-03-16 CN disclosed
EP-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
CN-1129591-C Ortho-substituted hydroxybenzofuran-3-one derivatives as antitumor and antimetastatic agents HOFMANN LA ROCHE AG F (CH) 2003-12-03 CN disclosed
US-6200989-B1 ADMINISTERING AS UROKINASE PLASMINOGEN ACTIVATOR ANTAGONISTS, ANTITUMOR AND ANTIMETASTASIS AGENTS HOFFMANN-LA ROCHE INC. 2001-03-13 US disclosed
CN-1265656-A O-substituted hydroxycumaranone derivatives as anttumor and antimetastatic agents HOFFMANN LA ROCHE (CH) 2000-09-06 CN disclosed
EP-1012147-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed
WO-1999006387-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-02-11 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-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 NPC1 3598/4885RAB9A 1878/4885HDAC3 749/4885
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 NPC1 3598/4885RAB9A 1878/4885HDAC3 749/4885

“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.