SCHEMBL2853892

SCHEMBL2853892

Cc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.44
SETD7 Q8WTS6 1/20 0.43
MAPT P10636 11/20 0.43
LMNA P02545 7/20 0.43
ALDH1A1 P00352 5/20 0.43
RGS12 O14924 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.41
HTT P42858 5/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2857192 0.91 SETD7 (0.53) BRAFSETD7MAPTLMNAALDH1A1
SCHEMBL2194097 0.88 CRHBP (0.52) BRAFSETD7MAPTLMNAALDH1A1
SCHEMBL2857381 0.88 BRAF (0.47) BRAFMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL2851245 0.88 FFAR1 (0.51) BRAFMAPTLMNAALDH1A1RGS12
SCHEMBL2858573 0.86 MAPT (0.48) BRAFMAPTLMNAALDH1A1RGS12
SCHEMBL2851567 0.82 BRAF (0.61) BRAF
SCHEMBL2857613 0.80 GAA (0.54) BRAFMAPTRAB9AMAPK1
SCHEMBL2855650 0.79 MEN1 (0.52) BRAFSETD7MAPTLMNAALDH1A1
SCHEMBL2197247 0.79 SETD7 (0.57) SETD7MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL2853188 0.77 BRAF (0.42) BRAFMAPTLMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885SETD7 727/4885MAPT 4439/4885

“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.