SCHEMBL4512208

SCHEMBL4512208

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCCl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
TSHR P16473 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 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
SCHEMBL1380833 0.92 TSHR (0.51) TP53TSHRKMT2AMEN1TDP1
SCHEMBL1381085 0.92 TSHR (0.53) TP53TSHRKMT2AMEN1TDP1
SCHEMBL1377858 0.92 TP53 (0.51) TP53TSHRKMT2AMEN1TDP1
SCHEMBL1379156 0.91 TSHR (0.52) TP53TSHRKMT2AMEN1TDP1
SCHEMBL4499696 0.91 TSHR (0.52) TP53TSHRKMT2AMEN1TDP1
SCHEMBL1380451 0.91 TP53 (0.51) TP53TSHRKMT2AMEN1TDP1
SCHEMBL1379838 0.91 HTT (0.57) TP53TSHRKMT2AMEN1TDP1
SCHEMBL1378903 0.91 TP53 (0.53) TP53TSHRKMT2AMEN1TDP1
SCHEMBL1381717 0.90 LMNA (0.55) TP53KMT2AMEN1TDP1HPGD
SCHEMBL1377244 0.90 HTT (0.56) TP53TSHRKMT2AMEN1TDP1

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-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

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 TP53 119/4885TSHR 4369/4885KMT2A 518/4885

“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.