SCHEMBL167177

SCHEMBL167177

Cc1cc(C(F)(F)F)ccc1OCCN(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
ESR1 P03372 2/20 0.59
MRGPRX4 Q96LA9 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
HTR7 P34969 1/20 0.42
SLC6A9 P48067 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA2A P08913 1/20 0.41
PKM P14618 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL14672453 0.89 KDM4E (0.59) KDM4EESR1RXFP1HTR7SLC6A9
SCHEMBL14431362 0.86 KDM4E (0.56) KDM4EESR1MRGPRX4PPARGPPARD
SCHEMBL24123876 0.85 KDM4E (1.00) KDM4EESR1MRGPRX4HTR7THRA
SCHEMBL13602334 0.84 KDM4E (0.54) KDM4EESR1MRGPRX4PPARGPPARD
SCHEMBL12398619 0.84 KDM4E (0.54) KDM4EESR1RXFP1HTR7SLC6A9
SCHEMBL16559753 0.83 KDM4E (0.60) KDM4EESR1RXFP1HTR7SLC6A9
SCHEMBL13130473 0.82 KDM4E (0.51) KDM4EESR1RXFP1HTR7SLC6A9
SCHEMBL14471138 0.81 PPARG (0.51) KDM4EESR1MRGPRX4PPARGPPARD
SCHEMBL14453572 0.80 KDM4E (0.58) KDM4EMRGPRX4PPARGPPARDPPARA
SCHEMBL165552 0.80 ESR1 (0.57) KDM4EESR1MRGPRX4PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3003314-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER KALA PHARMACEUTICALS INC (US) 2019-05-15 EP disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
WO-2009003998-A2 ANTIPROLIFERATIVE COMPOUNDS BASED ON 5-MEMBERED HETEROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 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 (6 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 KDM4E 1022/4885ESR1 1041/4885MRGPRX4 1182/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS KDM4E 2459/4885ESR1 4613/4885MRGPRX4 3071/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 KDM4E 480/4885ESR1 4373/4885MRGPRX4 3670/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 KDM4E 1691/4885ESR1 2942/4885MRGPRX4 1786/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 KDM4E 480/4885ESR1 4373/4885MRGPRX4 3670/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 KDM4E 1349/4885ESR1 4389/4885MRGPRX4 1836/4885

“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.