SCHEMBL2032815

SCHEMBL2032815

Cc1ccc(OCC2CCCO2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 4/20 0.56
▸ FECH P22830 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ RAB9A P51151 7/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ GRM5 P41594 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ IDH2 P48735 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ SRPK1 Q96SB4 1/20 0.44

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
SCHEMBL13551230 0.86 CHEK1 (0.63) CHEK1FECHKCNH2RAB9ANPC1
SCHEMBL305118 0.86 CHEK1 (0.76) CHEK1FECHKCNH2KDM4E
SCHEMBL305117 0.86 CHEK1 (0.76) CHEK1FECHKCNH2KDM4E
SCHEMBL10076337 0.86 CHEK1 (0.76) CHEK1FECHKCNH2KDM4E
SCHEMBL12534439 0.85 CHEK1 (0.53) CHEK1FECHKCNH2KDM4EMAPK1
SCHEMBL304744 0.85 CHEK1 (0.53) CHEK1FECHKCNH2KDM4EMAPK1
SCHEMBL13551234 0.84 CHEK1 (0.58) CHEK1FECHKCNH2RAB9ANPC1
SCHEMBL13551232 0.83 CHEK1 (0.75) CHEK1FECHKCNH2RAB9ANPC1
SCHEMBL12643386 0.80 CHEK1 (0.59) CHEK1FECHKCNH2RAB9ANPC1
SCHEMBL13397433 0.80 CHRNB2 (0.49) CHEK1FECHKCNH2KDM4E

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 13 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
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 CHEK1 1/4885FECH 2044/4885KCNH2 3941/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 CHEK1 1/4885FECH 2044/4885KCNH2 3941/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 CHEK1 1/4885FECH 2044/4885KCNH2 3941/4885

“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.

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