SCHEMBL695196

SCHEMBL695196

O=c1cnc(-c2ccccc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
LDHA P00338 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
XDH P47989 2/20 0.41
MAPK1 P28482 1/20 0.40
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.39
KEAP1 Q14145 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
HSD11B1 P28845 1/20 0.39
DYRK1A Q13627 1/20 0.39
HPGDS O60760 1/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL7391711 0.85 MEN1 (0.45) L3MBTL1MAPK1HSD11B1ALDH1A1HSD17B10
SCHEMBL7278792 0.81 METAP2 (0.43) METAP2KEAP1DYRK1AKDM4EALDH1A1
SCHEMBL13575692 0.81 NPC1 (0.45) MAPK1KDM5BNOTUMGSK3B
SCHEMBL31226596 0.80 METAP2 (0.50) XDHMETAP2KDM4EALDH1A1HPGD
SCHEMBL1395492 0.80 METAP2 (0.50) XDHMETAP2KDM4EALDH1A1HPGD
SCHEMBL5088831 0.80 RAB9A (0.49) LDHAKDM4EALDH1A1
SCHEMBL7396486 0.80 ROCK2 (0.58) MAPK1IDO1ALDH1A1
Bromide SCHEMBL7301912 0.79 METAP2 (0.42) METAP2KEAP1DYRK1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7349133 0.79 METAP2 (0.42) METAP2KEAP1DYRK1AKDM4EALDH1A1
SCHEMBL7391714 0.78 PTPN1 (0.67) IDO1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
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-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US disclosed
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US disclosed
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US disclosed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US disclosed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US disclosed
US-4514568-A 5-(4-Nitrophenyl)-2(1H)-pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-04-30 US disclosed
US-4514568-A 5-(4-Nitrophenyl)-2(1H)-pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-04-30 US disclosed
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP disclosed
US-4402958-A ANXIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1983-09-06 US 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 (10 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP1A2 1732/4885LDHA 2241/4885L3MBTL1 462/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP1A2 1732/4885LDHA 2241/4885L3MBTL1 462/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP1A2 1732/4885LDHA 2241/4885L3MBTL1 462/4885
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 CYP1A2 37/4885LDHA 918/4885L3MBTL1 530/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP1A2 1732/4885LDHA 2241/4885L3MBTL1 462/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 CYP1A2 29/4885LDHA 1914/4885L3MBTL1 1074/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 CYP1A2 37/4885LDHA 918/4885L3MBTL1 530/4885
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE BTK, LCK, LYN CYP1A2 2218/4885LDHA 4460/4885L3MBTL1 2973/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 CYP1A2 29/4885LDHA 1914/4885L3MBTL1 1074/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 CYP1A2 23/4885LDHA 1731/4885L3MBTL1 886/4885

“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.