SCHEMBL1506604

SCHEMBL1506604

Cc1nc(C(F)(F)F)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CXCR4 P61073 1/20 0.41
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
NOTUM Q6P988 1/20 0.32
PTGS2 P35354 1/20 0.32
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PDE4B Q07343 1/20 0.31
MAT2A P31153 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL1584056 0.77 NOS3 (0.44) LMNAKDM4ECXCR4GAANPC1
SCHEMBL31018185 0.76 TRPV4 (0.45) LMNAKDM4ECXCR4GAANPC1
SCHEMBL21612748 0.76 TRPV4 (0.45) LMNAKDM4ECXCR4GAANPC1
SCHEMBL21139679 0.76 KDM4E (0.42) LMNAKDM4ECXCR4GAANPC1
SCHEMBL755969 0.76 HSP90AA1 (0.36) LMNAKDM4ECXCR4GAAHSP90AA1
SCHEMBL15832406 0.76 LMNA (0.46) LMNAKDM4ECXCR4GAANPC1
Ammonia Solution, Strong SCHEMBL27852366 0.76 NOS3 (0.43) LMNAKDM4ECXCR4GAANPC1
SCHEMBL30636400 0.76 TRPV4 (0.35) LMNAKDM4ETRPV4NOTUM
SCHEMBL30358807 0.76 TRPV4 (0.35) LMNATRPV4NOTUM
SCHEMBL1674253 0.76 TRPV4 (0.35) LMNAKDM4ETRPV4NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715347-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2020-09-30 EP disclosed
EP-3354652-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2018-08-01 EP disclosed
CN-107820494-A Nuclear receptor modulators 艾伯维公司 2018-03-20 CN disclosed
EP-3050882-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2016-08-03 EP disclosed
EP-2545045-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-06 EP disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP LMNA 226/4885KDM4E 2213/4885CXCR4 1586/4885

“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.