SCHEMBL4554237

SCHEMBL4554237

Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCCN1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.61
MAPK14 Q16539 2/20 0.61
RAF1 P04049 3/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
KDR P35968 6/20 0.51
EGFR P00533 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
QPCT Q16769 1/20 0.46
RET P07949 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL3805607 0.90 BRAF (0.60) BRAFMAPK14RAF1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2682697 0.89 BRAF (0.59) BRAFMAPK14RAF1HTR2AHTR2C
SCHEMBL2681361 0.89 BRAF (0.77) BRAFMAPK14RAF1HTR2AHTR2C
SCHEMBL10220711 0.89 HTR2A (0.56) BRAFMAPK14HTR2AHTR2CKDR
Hydrochloric Acid SCHEMBL2681808 0.88 HTR2A (0.55) BRAFMAPK14HTR2AHTR2CKDR
SCHEMBL18196958 0.86 IDH1 (0.50) BRAFMAPK14RAF1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2682150 0.85 RAF1 (0.49) BRAFMAPK14RAF1HTR2AHTR2C
SCHEMBL18804917 0.85 MAPK14 (0.51) BRAFMAPK14RAF1HTR2AHTR2C
SCHEMBL18025331 0.81 IDH1 (0.46) BRAFMAPK14RAF1HTR2AHTR2C
SCHEMBL9952360 0.81 LMNA (0.51) BRAFMAPK14RAF1HTR2AHTR2C

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
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT BRAF 3879/4885MAPK14 1093/4885RAF1 4564/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT BRAF 3879/4885MAPK14 1093/4885RAF1 4564/4885

“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.