SCHEMBL2038437

SCHEMBL2038437

Cc1cnc(NC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2OCc2cccnc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.56
CHEK1 O14757 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PTGER1 P34995 1/20 0.46
CYP2C19 P33261 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
SCHEMBL2034631 0.90 BRD4 (0.54) BRD4CHEK1L3MBTL1USP2ALDH1A1
SCHEMBL2035402 0.89 CHEK1 (0.51) BRD4CHEK1
SCHEMBL2034524 0.88 BRD4 (0.57) BRD4CHEK1L3MBTL1USP2ALDH1A1
SCHEMBL2035693 0.87 BRD4 (0.53) BRD4CHEK1L3MBTL1USP2ALDH1A1
SCHEMBL2035559 0.87 CHEK1 (0.51) BRD4CHEK1L3MBTL1USP2ALDH1A1
SCHEMBL2032966 0.85 BRD4 (0.54) BRD4CHEK1ALDH1A1MAPK1CYP1A2
SCHEMBL2031912 0.85 CHEK1 (0.48) BRD4CHEK1HTT
SCHEMBL2034608 0.84 CHEK1 (0.54) BRD4CHEK1ALDH1A1POLBLMNA
SCHEMBL2036774 0.84 BRD4 (0.53) BRD4CHEK1POLBCYP2C19
SCHEMBL2035648 0.83 CHEK1 (0.54) BRD4CHEK1ALDH1A1MAPK1

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 12 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
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-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 US disclosed
US-20050245525-A1 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2005-11-03 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
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US 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 (3 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 BRD4 794/4885CHEK1 1/4885L3MBTL1 310/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 BRD4 794/4885CHEK1 1/4885L3MBTL1 310/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 BRD4 794/4885CHEK1 1/4885L3MBTL1 310/4885

“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.