SCHEMBL1573250

SCHEMBL1573250

FC(F)(F)c1nc(Cl)c(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
ENPP1 P22413 2/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PSD A5PKW4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
PTGS2 P35354 1/20 0.37
ADORA2A P29274 1/20 0.36

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
SCHEMBL1573022 0.92 ADORA1 (0.39) KDM4EPKMENPP1ALDH1A1SMN1; SMN2
SCHEMBL1572984 0.91 L3MBTL1 (0.45) KDM4EENPP1LMNAALDH1A1HPGD
SCHEMBL3397783 0.86 PTGS2 (0.40) LMNAALDH1A1SMN1; SMN2PTGS1PDE4A
SCHEMBL1573094 0.86 PTGS2 (0.57) PTGS1PTGS2
SCHEMBL6530623 0.85 KDM4E (0.39) KDM4EPKMENPP1LMNAALDH1A1
SCHEMBL2082760 0.85 PDE4A (0.49) LMNAPTGS1PDE4APDE4BPDE4C
SCHEMBL27750165 0.84 PTGS2 (0.55) PTGS1PTGS2
SCHEMBL27729749 0.84 PSD (0.35) KDM4EPKMENPP1LMNAALDH1A1
SCHEMBL14288875 0.82 PTGS2 (0.33) KDM4EPKMENPP1LMNAALDH1A1
SCHEMBL14313994 0.82 RARA (0.34) LMNAALDH1A1PDE4APDE4BPDE4C

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542978-B1 NOVEL BIO-ACTIVE MOLECULES ORCHID RES LAB LTD (IN) 2011-04-13 EP claimed
US-7317014-B2 Bio-active pyrimidine molecules ORCHID RESEARCH LABORATORIES, LTD. (IN) 2008-01-08 US claimed
US-20050107413-A1 Novel bio-active molecules ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-05-19 US claimed
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US disclosed
EP-1542978-B1 NOVEL BIO-ACTIVE MOLECULES ORCHID RES LAB LTD (IN) 2011-04-13 EP disclosed
EP-1542978-B1 NOVEL BIO-ACTIVE MOLECULES ORCHID RES LAB LTD (IN) 2011-04-13 EP disclosed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US disclosed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US disclosed
US-7317014-B2 Bio-active pyrimidine molecules ORCHID RESEARCH LABORATORIES, LTD. (IN) 2008-01-08 US disclosed
US-7317014-B2 Bio-active pyrimidine molecules ORCHID RESEARCH LABORATORIES, LTD. (IN) 2008-01-08 US disclosed
US-7317014-B2 Bio-active pyrimidine molecules ORCHID RESEARCH LABORATORIES, LTD. (IN) 2008-01-08 US disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
EP-1542978-A1 NOVEL BIO-ACTIVE MOLECULES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-06-22 EP disclosed
US-20050107413-A1 Novel bio-active molecules ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-05-19 US disclosed
WO-2004009560-A1 NOVEL BIO-ACTIVE MOLECULES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 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 (5 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-20080207606-A1 Novel heterocycles GPR4, UACA, PDE4A KDM4E 2926/4885PKM 1336/4885ENPP1 1468/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 KDM4E 2809/4885PKM 1150/4885ENPP1 1297/4885
US-20050107413-A1 Novel bio-active molecules ABCG2, UGT2B7, UGT1A1 KDM4E 4794/4885PKM 1297/4885ENPP1 159/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 KDM4E 4714/4885PKM 1793/4885ENPP1 2756/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A KDM4E 2898/4885PKM 963/4885ENPP1 247/4885

“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.