SCHEMBL4294626

SCHEMBL4294626

N#Cc1ccc(NC(=O)Oc2ccccc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
IDO1 P14902 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.46
RAB9A P51151 1/20 0.45
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C19 P33261 1/20 0.44
JAK2 O60674 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
DEGS1 O15121 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL23200201 0.86 RAB9A (0.45) MEN1KMT2ARAB9ACCNE1CDK2
SCHEMBL31125168 0.84 F2 (0.46) MEN1KMT2ACCNE1CDK2CDK5
SCHEMBL31125084 0.81 CHEK1 (0.59) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL2589885 0.81 CHEK1 (0.59) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL3715011 0.79 MEN1 (0.58) MEN1KMT2AIDO1TMPRSS4RAB9A
SCHEMBL1967584 0.78 HCAR3 (0.63) MEN1KMT2ATMPRSS4RAB9ADEGS1
SCHEMBL16172589 0.78 MAPT (0.57) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL20644592 0.78 CCNE1 (0.46) MEN1KMT2ARAB9ACCNE1CDK2
SCHEMBL14355062 0.78 CCNE1 (0.46) MEN1KMT2ARAB9ACCNE1CDK2
SCHEMBL13977907 0.78 CCNE1 (0.46) MEN1KMT2ARAB9ACCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270416-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER SENTINEL ONCOLOGY LIMITED (GB) 2009-10-29 US disclosed
US-20090270416-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER SENTINEL ONCOLOGY LIMITED (GB) 2009-10-29 US disclosed
US-20090270416-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER SENTINEL ONCOLOGY LIMITED (GB) 2009-10-29 US disclosed
US-20050176733-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005072733-A1 DYARYLUREA COMPOUNDS AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-08-11 WO 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-20090270416-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER CHEK1, CHEK2, CDK1 MEN1 2156/4885KMT2A 888/4885IDO1 1829/4885
US-20050176733-A1 Chk-1 inhibitors CHEK1, CHEK2, CHKA MEN1 2119/4885KMT2A 1260/4885IDO1 4062/4885

“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.