SCHEMBL4487785

SCHEMBL4487785

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1ccc(OCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TP53 P04637 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MMP13 P45452 1/20 0.48
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4503635 0.95 TSHR (0.53) TSHRTP53TDP1LMNAMAPK1
SCHEMBL1378859 0.93 TSHR (0.56) TSHRTP53TDP1LMNAMAPK1
SCHEMBL1378819 0.93 TSHR (0.56) TSHRTP53TDP1LMNAMAPK1
SCHEMBL1379236 0.92 TSHR (0.58) TSHRTP53TDP1LMNAMAPK1
SCHEMBL4490530 0.92 TSHR (0.56) TSHRTP53TDP1LMNAMAPK1
SCHEMBL1380094 0.91 TSHR (0.55) TSHRTP53TDP1LMNAMAPK1
SCHEMBL1381815 0.91 TSHR (0.55) TSHRTP53TDP1LMNAMAPK1
SCHEMBL1378526 0.91 GAA (0.61) TSHRTP53TDP1LMNAMAPK1
SCHEMBL1377246 0.91 TP53 (0.64) TSHRTP53TDP1LMNAMAPK1
SCHEMBL4494847 0.91 HTT (0.59) TSHRTP53TDP1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 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 (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-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors KIT, CHUK, TNNI3K TSHR 4369/4885TP53 119/4885TDP1 3696/4885

“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.