SCHEMBL167590

SCHEMBL167590

COc1cc(Cl)c(C(F)(F)F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
RAPGEF4 Q8WZA2 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 2/20 0.35
NOTUM Q6P988 1/20 0.35
RORB Q92753 1/20 0.34
NPC1 O15118 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL26733406 0.92 HTR2A (0.41) MAPTLMNAGAARAPGEF4HTR2A
SCHEMBL26736860 0.84 GLA (0.34) MAPTLMNAGAAMEN1KMT2A
SCHEMBL26607166 0.82 GLA (0.33) MAPTLMNAGAAMEN1KMT2A
SCHEMBL14198837 0.82 HTR2A (0.49) LMNAGAAHTR2AHTR2CALDH1A1
SCHEMBL16122781 0.82 TAAR1 (0.41) MAPTGAAHTR2AHTR2CMEN1
SCHEMBL26607082 0.81 NR3C1 (0.36) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL16117680 0.79 LMNA (0.47) MAPTLMNAGAAHTR2AHTR2C
SCHEMBL22560911 0.79 MAPT (0.39) MAPTLMNAGAAHTR2AHTR2C
SCHEMBL617667 0.79 GAA (0.55) MAPTLMNAGAAHTR2AHTR2C
SCHEMBL13568683 0.79 RAPGEF4 (0.44) MAPTLMNARAPGEF4ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 MAPT 3584/4885LMNA 2767/4885GAA 2382/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 MAPT 758/4885LMNA 3748/4885GAA 3167/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 MAPT 1370/4885LMNA 1668/4885GAA 1611/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 MAPT 758/4885LMNA 3748/4885GAA 3167/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 MAPT 2963/4885LMNA 2512/4885GAA 659/4885

“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.