SCHEMBL2033685

SCHEMBL2033685

Cc1ccc(OCC2CCCNC2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 11/20 0.53
▸ FECH P22830 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.45
▸ SCN9A Q15858 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ RET P07949 1/20 0.41
▸ FER P16591 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ STK3 Q13188 1/20 0.41
▸ BRSK1 Q8TDC3 1/20 0.41

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
SCHEMBL16416700 0.91 CHEK1 (0.49) CHEK1FECHKCNH2KDM4ESCN9A
SCHEMBL6892368 0.90 CHEK1 (0.47) CHEK1FECHKCNH2KDM4E
SCHEMBL13997115 0.90 CHEK1 (0.48) CHEK1FECHKCNH2KDM4ESCN9A
Hydrochloric Acid SCHEMBL5059305 0.89 CHEK1 (0.47) CHEK1FECHKCNH2KDM4ESCN9A
SCHEMBL5163178 0.89 CHEK1 (0.49) CHEK1FECHKCNH2SCN9A
SCHEMBL5163065 0.89 CHEK1 (0.49) CHEK1FECHKCNH2SCN9A
SCHEMBL5163078 0.89 CHEK1 (0.49) CHEK1FECHKCNH2SCN9A
SCHEMBL13677587 0.83 KDM4E (0.47) CHEK1FECHKCNH2KDM4EPLK4
SCHEMBL2037624 0.83 KDM4E (0.47) CHEK1FECHKCNH2KDM4EPLK4
SCHEMBL12643242 0.83 KDM4E (0.47) CHEK1FECHKCNH2KDM4EPLK4

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 34 patents — showing the first 20. 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 claimed
JP-4222833-B2 — — 2009-02-12 — — JP claimed
US-20050245525-A1 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2005-11-03 — — US claimed
JP-2004523568-A — — 2004-08-05 — — JP claimed
CN-1507436-A Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers — 2004-06-23 — — CN claimed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 — — EP claimed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 — — US claimed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 — — WO claimed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 — — US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 — — US disclosed
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 — — CN disclosed
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF SG CREDIT PARTNERS, INC. 2020-05-28 — — US disclosed
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2020-05-28 — — US disclosed
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2020-02-04 — — 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
CN-1507436-A Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers — 2004-06-23 — — CN 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 (7 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-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 CHEK1 1/4885FECH 2044/4885KCNH2 3941/4885
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 CHEK1 936/4885FECH 2097/4885KCNH2 4758/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 CHEK1 666/4885FECH 2255/4885KCNH2 4557/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 CHEK1 936/4885FECH 2097/4885KCNH2 4758/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 CHEK1 1/4885FECH 2044/4885KCNH2 3941/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 CHEK1 666/4885FECH 2255/4885KCNH2 4557/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 CHEK1 1515/4885FECH 1936/4885KCNH2 4503/4885

“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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