SCHEMBL305537

SCHEMBL305537

Cc1ccc(OCC2CN(C)CCN2C)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ CHEK1 O14757 15/20 0.43
▸ FECH P22830 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CDK5 Q00535 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ AKT1 P31749 1/20 0.39

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
SCHEMBL10076322 0.91 CHEK1 (0.54) CHEK1FECHKCNH2CHEK2AKT1
SCHEMBL305539 0.90 CHEK1 (0.56) CHEK1CHEK2AKT1
SCHEMBL10076321 0.89 CHEK1 (0.42) KDM4ECHEK1FECHKCNH2CDK5
SCHEMBL13677584 0.88 CHRNB2 (0.49) KDM4ECHEK1FECHKCNH2
SCHEMBL13397433 0.88 CHRNB2 (0.49) KDM4ECHEK1FECHKCNH2
SCHEMBL2030227 0.87 CHRNB2 (0.46) KDM4ECHEK1FECHKCNH2CDK5
SCHEMBL2036333 0.87 KDM4E (0.51) KDM4ECHEK1FECHKCNH2CDK5
SCHEMBL2034851 0.86 CHEK1 (0.51) KDM4ECHEK1FECHKCNH2CDK5
SCHEMBL305453 0.85 CHEK1 (0.51) KDM4ECHEK1FECHKCNH2CDK5
SCHEMBL12643242 0.85 KDM4E (0.47) KDM4ECHEK1FECHKCNH2CDK5

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 36 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
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN WISDOM WENDY A 2010-01-28 — — US disclosed
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN WISDOM WENDY A 2010-01-28 — — 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
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
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 — — EP disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 — — 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 (9 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 KDM4E 2095/4885CHEK1 936/4885FECH 2097/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 KDM4E 1281/4885CHEK1 666/4885FECH 2255/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 KDM4E 2095/4885CHEK1 936/4885FECH 2097/4885
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA KDM4E 2751/4885CHEK1 1/4885FECH 2006/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 KDM4E 1281/4885CHEK1 666/4885FECH 2255/4885
US-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 KDM4E 1484/4885CHEK1 1515/4885FECH 1936/4885
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 KDM4E 2095/4885CHEK1 936/4885FECH 2097/4885
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN CHEK1, CHEK2, DDB1 KDM4E 2549/4885CHEK1 1/4885FECH 2321/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 KDM4E 1484/4885CHEK1 1515/4885FECH 1936/4885

“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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