SCHEMBL2284288

SCHEMBL2284288

COC(=O)c1cccn(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.54
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
NR4A2 P43354 1/20 0.47
HSD17B10 Q99714 2/20 0.47
CFTR P13569 1/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
MYC P01106 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43

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
Biphenyl SCHEMBL27272413 0.92 GABRA1 (0.52) BRD4ALDH1A1KDM4ELMNATSHR
SCHEMBL31667256 0.87 BRD4 (0.40) BRD4ALDH1A1KDM4ELMNATSHR
SCHEMBL28302984 0.84 ALDH1A1 (0.40) BRD4ALDH1A1KDM4ELMNATSHR
SCHEMBL28875645 0.80 ALDH1A1 (0.49) BRD4ALDH1A1KDM4ELMNATSHR
SCHEMBL27667384 0.79 BRD4 (0.50) BRD4ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2280624 0.79 ALDH1A1 (0.46) BRD4ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL31186124 0.78 ALDH1A1 (0.58) BRD4ALDH1A1KDM4ELMNATSHR
SCHEMBL26618992 0.78 BRD4 (0.50) BRD4ALDH1A1KDM4ELMNATSHR
SCHEMBL18256948 0.77 ALDH1A1 (0.60) BRD4ALDH1A1KDM4ELMNATSHR
SCHEMBL12890135 0.77 ALDH1A1 (0.47) BRD4ALDH1A1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234220-B2 Immunomodulatory compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-02-25 US disclosed
WO-2023220238-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-20210284624-A1 IMMUNOMODULATORY COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-16 US disclosed
US-20210284624-A1 IMMUNOMODULATORY COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-16 US disclosed
CN-113166100-A Immunomodulatory compounds 达纳-法伯癌症研究所有限公司 2021-07-23 CN disclosed
EP-3814330-A1 IMMUNOMODULATORY COMPOUNDS Dana-Farber Cancer Institute, Inc. (US) 2021-05-05 EP disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed
WO-2016184434-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2016-11-24 WO disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20090306103-A1 PYRIDONECARBOXAMIDE DERIVATIVES USEFUL IN TREATING HYPER-PROLIFERATIVE AND ANGIOGENESIS DISORDERS BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
EP-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC BRD4 4102/4885ALDH1A1 1635/4885KDM4E 3968/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 BRD4 3330/4885ALDH1A1 1929/4885KDM4E 4855/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B BRD4 53/4885ALDH1A1 3735/4885KDM4E 444/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BRD4 223/4885ALDH1A1 4827/4885KDM4E 391/4885
US-20210284624-A1 IMMUNOMODULATORY COMPOUNDS CRBN, CD47, CD58 BRD4 382/4885ALDH1A1 3939/4885KDM4E 2386/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BRD4 223/4885ALDH1A1 4827/4885KDM4E 391/4885
US-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX BRD4 1310/4885ALDH1A1 3998/4885KDM4E 3309/4885
US-12234220-B2 Immunomodulatory compounds CRBN, CD47, CD58 BRD4 382/4885ALDH1A1 3939/4885KDM4E 2386/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 BRD4 3330/4885ALDH1A1 1929/4885KDM4E 4855/4885
US-20090306103-A1 PYRIDONECARBOXAMIDE DERIVATIVES USEFUL IN TREATING HYPER-PROLIFERATIVE AND ANGIOGENESIS DISORDERS MKI67, FLT4, VEGFA BRD4 549/4885ALDH1A1 1992/4885KDM4E 2843/4885

“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.