SCHEMBL2036041

SCHEMBL2036041

Cc1ccc(OCCc2ccc(N(C)C)cc2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 3/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ FECH P22830 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL2034352 0.84 KDM4E (0.51) CHEK1KDM4EHRH3FECHKCNH2
SCHEMBL2035469 0.84 KDM4E (0.51) CHEK1KDM4EKMT2AHRH3FECH
SCHEMBL2034643 0.83 KDM4E (0.53) CHEK1KDM4EKMT2APKMPOLB
SCHEMBL2033152 0.82 KDM4E (0.53) CHEK1KDM4EKMT2AFECHKCNH2
SCHEMBL2032960 0.82 KDM4E (0.45) CHEK1KDM4EKMT2AFECHKCNH2
SCHEMBL12643386 0.80 CHEK1 (0.59) CHEK1KDM4EKMT2AHRH3FECH
SCHEMBL2037030 0.80 KDM4E (0.51) CHEK1KDM4EKMT2AFECHKCNH2
SCHEMBL2032949 0.80 PKM (0.57) CHEK1KDM4EKMT2APKMRAB9A
SCHEMBL2038787 0.79 KDM4E (0.49) CHEK1KDM4EKMT2AHRH3MEN1
SCHEMBL2033544 0.79 KDM4E (0.50) CHEK1KDM4ESMN1; SMN2

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 CHEK1 1/4885KDM4E 2395/4885KMT2A 1546/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 CHEK1 1/4885KDM4E 2395/4885KMT2A 1546/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 CHEK1 1/4885KDM4E 2395/4885KMT2A 1546/4885

“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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