SCHEMBL3320939

SCHEMBL3320939

COc1cc(CNC(=O)c2cccnc2)ccc1NC(=O)Nc1cnc(C)cn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.60
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MGAM O43451 3/20 0.48
AMY1A P0DUB6 1/20 0.48
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.47
MAPT P10636 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
SCHEMBL3317861 0.91 CHEK1 (0.69) CHEK1SMN1; SMN2
SCHEMBL3318335 0.90 CHEK1 (0.61) CHEK1ALDH1A1
SCHEMBL13397487 0.87 CHEK1 (0.62) CHEK1ATML3MBTL1
SCHEMBL7052969 0.85 CHEK1 (0.58) CHEK1POLB
SCHEMBL3315454 0.85 CHEK1 (0.64) CHEK1POLBMAPK1ATMALDH1A1
SCHEMBL3320551 0.84 CHEK1 (0.67) CHEK1ALDH1A1
SCHEMBL3316526 0.82 CHEK1 (0.60) CHEK1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL2031750 0.82 CHEK1 (0.69) CHEK1
SCHEMBL3312901 0.81 CHEK1 (0.64) CHEK1ALDH1A1
SCHEMBL3318674 0.80 CHEK1 (0.63) CHEK1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379510-B1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS ICOS CORP (US) 2011-06-01 EP disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 CHEK1 1/4885POLB 84/4885TSHR 4083/4885

“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.