SCHEMBL2036334

SCHEMBL2036334

Cc1ccc(OC(C)C2CCNC2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.47
▸ FECH P22830 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ BRPF1 P55201 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36

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
SCHEMBL2034857 0.95 KDM4E (0.47) CHEK1FECHKCNH2KDM4EMEN1
SCHEMBL2037628 0.95 CHEK1 (0.46) CHEK1FECHKCNH2KDM4EMEN1
SCHEMBL305454 0.86 CHEK1 (0.46) CHEK1FECHKCNH2KDM4EMEN1
SCHEMBL2031898 0.86 CDK9 (0.50) CHEK1FECHKCNH2CCNT1CDK9
SCHEMBL5063318 0.85 HCRTR1 (0.45) CHEK1FECHKCNH2KDM4EMEN1
SCHEMBL5164330 0.84 CHEK1 (0.43) CHEK1FECHKCNH2MEN1KMT2A
SCHEMBL5165393 0.84 CHEK1 (0.43) CHEK1FECHKCNH2BRPF1AURKA
SCHEMBL2035842 0.83 KDM4E (0.45) CHEK1FECHKCNH2KDM4EMEN1
SCHEMBL27644607 0.83 CHEK1 (0.44) CHEK1FECHKCNH2AURKACHEK2
SCHEMBL2030233 0.83 KDM4E (0.44) CHEK1FECHKCNH2KDM4EMEN1

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 8 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-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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