SCHEMBL171178

SCHEMBL171178

COc1cc(Cl)c(C)cc1NC(=O)NCc1ccc(Oc2ccnc(C(N)=O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.57
RAF1 P04049 7/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NAMPT P43490 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
P2RX3 P56373 3/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13603562 0.92 DDR2 (0.57) DDR2RAF1SMN1; SMN2ALDH1A1NAMPT
SCHEMBL13603633 0.90 DDR2 (0.70) DDR2RAF1ALDH1A1KMT2A
SCHEMBL13603558 0.89 DDR2 (0.57) DDR2RAF1SMN1; SMN2ALDH1A1NAMPT
SCHEMBL16990632 0.89 DDR2 (0.57) DDR2RAF1ALDH1A1NAMPTL3MBTL1
SCHEMBL171217 0.87 DDR2 (0.70) DDR2RAF1ALDH1A1KMT2A
SCHEMBL13603563 0.86 DDR2 (0.54) DDR2RAF1ALDH1A1NAMPTHDAC1
SCHEMBL15574618 0.85 DDR2 (0.55) DDR2RAF1ALDH1A1L3MBTL1KMT2A
SCHEMBL16990611 0.84 DDR2 (0.54) DDR2RAF1L3MBTL1P2RX3
SCHEMBL15574694 0.83 DDR2 (0.70) DDR2RAF1SMN1; SMN2ALDH1A1NAMPT
SCHEMBL171194 0.83 DDR2 (0.67) DDR2RAF1ALDH1A1KMT2A

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 7 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-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

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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 DDR2 4558/4885RAF1 2/4885SMN1; SMN2 2976/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885RAF1 2/4885SMN1; SMN2 2976/4885

“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.