SCHEMBL4499696

SCHEMBL4499696

COCCOc1cccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CYP1A2 P05177 3/20 0.51
HPGD P15428 3/20 0.51
MAPK1 P28482 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 2/20 0.49
BLM P54132 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL1381146 0.97 KMT2A (0.50) TSHRCYP1A2HPGDMAPK1CYP2C19
SCHEMBL1381085 0.94 TSHR (0.53) TSHRHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL1378065 0.93 TP53 (0.56) TSHRCYP1A2HPGDMAPK1GAA
SCHEMBL1379877 0.93 KMT2A (0.58) TSHRHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL1379236 0.92 TSHR (0.58) TSHRCYP1A2HPGDMAPK1CYP2C19
SCHEMBL1380833 0.92 TSHR (0.51) TSHRHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL1377858 0.92 TP53 (0.51) TSHRCYP1A2HPGDMAPK1CYP2C19
SCHEMBL4512208 0.91 TP53 (0.51) TSHRHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL1379156 0.91 TSHR (0.52) TSHRHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL1377983 0.91 TSHR (0.52) TSHRHPGDMAPK1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US claimed
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

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 4369/4885CYP1A2 3026/4885HPGD 1154/4885

“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.