SCHEMBL3318674

SCHEMBL3318674

COc1cc(CNC(=O)Cc2ccccn2)ccc1NC(=O)Nc1cnc(C)cn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.63
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.50
CTSD P07339 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
SCHEMBL13397487 0.87 CHEK1 (0.62) CHEK1
SCHEMBL3315454 0.86 CHEK1 (0.64) CHEK1KMT2ACYP1A2CYP2C19PKM
SCHEMBL3317190 0.86 CHEK1 (0.61) CHEK1KMT2A
SCHEMBL3312901 0.85 CHEK1 (0.64) CHEK1KMT2A
SCHEMBL3320551 0.84 CHEK1 (0.67) CHEK1KMT2A
SCHEMBL3317861 0.83 CHEK1 (0.69) CHEK1SMN1; SMN2
SCHEMBL3315222 0.83 CHEK1 (0.61) CHEK1KMT2A
SCHEMBL12184174 0.82 CHEK1 (0.85) CHEK1
SCHEMBL2031750 0.82 CHEK1 (0.69) CHEK1
SCHEMBL3320959 0.81 CHEK1 (0.62) CHEK1KMT2AMEN1PKM

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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 CHEK1 1/4885KMT2A 1546/4885MEN1 1983/4885

“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.