SCHEMBL5373752

SCHEMBL5373752

COc1ccc(C)cc1NC(=O)Nc1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
MEN1 O00255 7/20 0.76
KMT2A Q03164 7/20 0.76
POLB P06746 2/20 0.76
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
CHEK1 O14757 1/20 0.67
GAA P10253 2/20 0.58
MAPT P10636 4/20 0.57
ALDH1A1 P00352 2/20 0.57
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL2035848 0.86 KDM4E (0.76) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL5372209 0.86 KMT2A (1.00) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL2031582 0.85 KDM4E (0.74) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL2031887 0.85 KDM4E (0.74) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL3314663 0.84 KDM4E (0.73) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL5373531 0.84 KDM4E (0.73) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL2036696 0.84 KDM4E (0.72) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL5368898 0.83 KDM4E (0.71) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL5377213 0.83 KDM4E (1.00) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL2035459 0.83 KDM4E (0.71) KDM4EMEN1KMT2APOLBNPC1

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-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-20040014765-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-01-22 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-20040014765-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885MEN1 1973/4885KMT2A 1919/4885

“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.