SCHEMBL2030227

SCHEMBL2030227

Cc1ccc(OCC2CCCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.46
▸ CHRNB4 P30926 3/20 0.46
▸ CHRNA3 P32297 3/20 0.46
▸ CHRNA4 P43681 2/20 0.46
▸ CHRNB1 P11230 2/20 0.46
▸ CHRNB3 Q05901 2/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ CHRM3 P20309 3/20 0.44
▸ CHEK1 O14757 5/20 0.43
▸ FECH P22830 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MCHR1 Q99705 2/20 0.42

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
SCHEMBL13677584 0.97 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRNB1
SCHEMBL13397433 0.97 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRNB1
SCHEMBL2033760 0.89 CHRM3 (0.47) CDK5CDK5R1KDM4ECHRM3CHEK1
SCHEMBL305537 0.87 KDM4E (0.45) CDK5CDK5R1KDM4ECHEK1FECH
SCHEMBL5163145 0.86 CHEK1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNB1
SCHEMBL305453 0.85 CHEK1 (0.51) CDK5CDK5R1KDM4ECHEK1FECH
SCHEMBL2034851 0.84 CHEK1 (0.51) CDK5CDK5R1KDM4ECHRM3CHEK1
SCHEMBL12643242 0.83 KDM4E (0.47) CDK5CDK5R1KDM4ECHRM3CHEK1
SCHEMBL2037624 0.83 KDM4E (0.47) CDK5CDK5R1KDM4ECHRM3CHEK1
SCHEMBL13677587 0.83 KDM4E (0.47) CDK5CDK5R1KDM4ECHRM3CHEK1

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
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
CN-100374425-C Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers YILE LILY CO LTD (US) 2008-03-12 — — CN claimed
US-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 — — US 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-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-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 (6 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 CHRNB2 4110/4885CHRNB4 4181/4885CHRNA3 4343/4885
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 CHRNB2 3287/4885CHRNB4 3758/4885CHRNA3 3673/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 CHRNB2 4489/4885CHRNB4 4628/4885CHRNA3 4474/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 CHRNB2 3287/4885CHRNB4 3758/4885CHRNA3 3673/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 CHRNB2 4110/4885CHRNB4 4181/4885CHRNA3 4343/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 CHRNB2 4489/4885CHRNB4 4628/4885CHRNA3 4474/4885

“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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