SCHEMBL5386923

SCHEMBL5386923

COc1ccc(NC(=O)Nc2cnccn2)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.72
RAB9A P51151 5/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
CHEK1 O14757 1/20 0.69
POLB P06746 3/20 0.67
USP2 O75604 1/20 0.60
NPC1 O15118 2/20 0.59
GAA P10253 1/20 0.57
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
GRM4 Q14833 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MALT1 Q9UDY8 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
SCHEMBL5376798 0.81 CHEK1 (1.00) KDM4ERAB9AMEN1KMT2ACHEK1
SCHEMBL5373531 0.81 KDM4E (0.73) KDM4ERAB9AMEN1KMT2ACHEK1
SCHEMBL5372209 0.81 KMT2A (1.00) KDM4ERAB9AMEN1KMT2ACHEK1
SCHEMBL14517930 0.79 KDM4E (1.00) KDM4ERAB9AMEN1KMT2APOLB
SCHEMBL11685462 0.79 SMN1; SMN2 (0.63) KDM4ERAB9AMEN1KMT2APOLB
SCHEMBL14517931 0.79 KDM4E (0.74) KDM4ERAB9AMEN1KMT2APOLB
SCHEMBL14517924 0.77 CHEK1 (0.78) KDM4ERAB9AMEN1KMT2ACHEK1
SCHEMBL5813947 0.77 HTR2C (0.58) KDM4ERAB9AMEN1KMT2APOLB
SCHEMBL5373752 0.77 KDM4E (1.00) KDM4ERAB9AMEN1KMT2ACHEK1
SCHEMBL5377327 0.77 KDM4E (0.67) KDM4ERAB9AMEN1KMT2ACHEK1

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 5 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
WO-2003101444-A1 DIARYLUREA COMPOUNDS AND DERIVATIVES AS CHK-1 INHIBITORS FOR THE TREATMENT OF CANCER MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-11 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-20040014765-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885RAB9A 3026/4885MEN1 1973/4885

“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.