SCHEMBL305453

SCHEMBL305453

Cc1ccc(OCC2CNCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 14/20 0.51
▸ FECH P22830 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.43
▸ CHEK2 O96017 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 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
SCHEMBL305230 0.91 CHEK1 (0.52) CHEK1FECHKCNH2CHEK2AKT1
SCHEMBL305619 0.91 CHEK1 (0.52) CHEK1FECHKCNH2CHEK2AKT1
SCHEMBL305231 0.91 CHEK1 (0.52) CHEK1FECHKCNH2CHEK2AKT1
SCHEMBL13397433 0.86 CHRNB2 (0.49) CHEK1FECHKCNH2KDM4E
SCHEMBL13677584 0.86 CHRNB2 (0.49) CHEK1FECHKCNH2KDM4E
SCHEMBL305537 0.85 KDM4E (0.45) CHEK1FECHKCNH2KDM4ECHEK2
SCHEMBL2030227 0.85 CHRNB2 (0.46) CHEK1FECHKCNH2KDM4ECDK5
SCHEMBL2033685 0.82 CHEK1 (0.53) CHEK1FECHKCNH2KDM4E
SCHEMBL305117 0.81 CHEK1 (0.76) CHEK1FECHKCNH2KDM4ECHEK2
SCHEMBL10076337 0.81 CHEK1 (0.76) CHEK1FECHKCNH2KDM4ECHEK2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102219784-A Heteroaryl urea derivatives useful for inhibition of CHK1 ICOS CORP 2011-10-19 — — CN claimed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US 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-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-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-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-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2019-03-14 — — US disclosed
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2018-09-13 — — US disclosed
US-9993460-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2018-06-12 — — US disclosed
CN-102219784-A Heteroaryl urea derivatives useful for inhibition of CHK1 ICOS CORP 2011-10-19 — — CN disclosed
CN-101151259-B Heteroaryl urea derivatives useful for inhibition of CHK1 ICOS CORP 2011-06-15 — — CN disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 — — EP disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 — — EP disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US disclosed
WO-2008067027-A2 COMPOSITIONS OF CHKL INHIBITORS AND CYCLODEXTRIN ICOS CORPORATION (US) 2008-06-05 — — WO disclosed
CN-101151259-A Heteroaryl urea derivatives useful for inhibition of CHKI ICOS CORP (US) 2008-03-26 — — CN 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 (8 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-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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA CHEK1 1/4885FECH 2006/4885KCNH2 3943/4885
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-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 CHEK1 1515/4885FECH 1936/4885KCNH2 4503/4885
US-20180256549-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-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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