SCHEMBL2033440

SCHEMBL2033440

Cc1ccc(OC(Cc2ccccc2)C2CCCN2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.47
▸ KDM4E B2RXH2 1/20 0.40
▸ FECH P22830 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ NOTUM Q6P988 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
SCHEMBL2035842 0.85 KDM4E (0.45) CHEK1KDM4EFECHKCNH2KMT2A
SCHEMBL2030233 0.82 KDM4E (0.44) CHEK1KDM4EFECHKCNH2KMT2A
SCHEMBL6897387 0.76 HSP90AA1 (0.46) CHEK1KDM4EFECHKCNH2CDK5
SCHEMBL305454 0.75 CHEK1 (0.46) CHEK1KDM4EFECHKCNH2KMT2A
SCHEMBL2034857 0.75 KDM4E (0.47) CHEK1KDM4EFECHKCNH2KMT2A
SCHEMBL2037628 0.75 CHEK1 (0.46) CHEK1KDM4EFECHKCNH2KMT2A
SCHEMBL2033435 0.74 CHEK1 (0.46) CHEK1KDM4EFECHKCNH2TSHR
SCHEMBL305538 0.73 KDM4E (0.42) CHEK1KDM4EFECHKCNH2KMT2A
SCHEMBL2036334 0.73 CHEK1 (0.47) CHEK1KDM4EFECHKCNH2KMT2A
SCHEMBL2033685 0.73 CHEK1 (0.53) CHEK1KDM4EFECHKCNH2

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-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
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 — — 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 (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 1/4885KDM4E 2395/4885FECH 2044/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 CHEK1 1/4885KDM4E 2395/4885FECH 2044/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 CHEK1 1/4885KDM4E 2395/4885FECH 2044/4885

“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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