SCHEMBL5623645

SCHEMBL5623645

Cc1cc(Oc2ccc(N)c3ccccc23)nc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
EP300 Q09472 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
NCF1 P14598 1/20 0.41
CYP1A2 P05177 4/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
LMNA P02545 3/20 0.36

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
SCHEMBL14380422 0.88 IDO1 (0.47) IDO1EP300KAT8NCF1CYP1A2
SCHEMBL4688824 0.86 HTT (0.48) IDO1EP300KAT8NCF1CYP1A2
SCHEMBL17070198 0.79 IDO1 (0.47) IDO1EP300KAT8NCF1ALOX5AP
SCHEMBL14380425 0.77 CTSB (0.40) KMT2AMAPTMEN1L3MBTL1KDM4E
SCHEMBL14380414 0.76 HTR6 (0.47) NCF1CYP1A2KMT2AMAPTCYP2C19
SCHEMBL14289935 0.76 HTT (0.44) CYP1A2KMT2AMAPTCYP2C19MEN1
SCHEMBL17623909 0.74 MEN1 (0.56) CYP1A2KMT2AMAPTCYP2C19MEN1
SCHEMBL14380427 0.74 CYP1A2 (0.39) NCF1CYP1A2KMT2AMAPTCYP2C19
SCHEMBL17623915 0.73 ALDH1A1 (0.46) CYP1A2KMT2AMAPTCYP2C19MEN1
SCHEMBL4687323 0.73 IDO1 (0.68) IDO1EP300KAT8NCF1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
EP-1549621-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-07-06 EP disclosed
US-6872726-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-29 US disclosed
US-20050032797-A1 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004014870-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 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-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF IDO1 196/4885EP300 1858/4885KAT8 2902/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A IDO1 390/4885EP300 423/4885KAT8 2129/4885

“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.