SCHEMBL5445170

SCHEMBL5445170

c1ccc(COc2cccc3cnccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.65
IKBKB O14920 3/20 0.50
ABCB1 P08183 1/20 0.50
KDM4C Q9H3R0 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46

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
SCHEMBL31364101 1.00 KCNA3 (0.65) KCNA3IKBKBABCB1KDM4CPLAU
SCHEMBL21266927 0.88 IKBKB (0.50) KCNA3IKBKBABCB1KDM4CPLAU
SCHEMBL4058033 0.87 KCNA3 (0.53) KCNA3IKBKBMAPTALDH1A1GPBAR1
SCHEMBL367358 0.85 MRGPRX4 (0.54) KCNA3MRGPRX4MAPK1MAPTALDH1A1
SCHEMBL5789318 0.82 ALDH1A1 (0.55) KCNA3IKBKBABCB1MRGPRX4MAPT
SCHEMBL29568609 0.81 MRGPRX4 (0.67) KCNA3MRGPRX4MAPK1MAPTTDP1
SCHEMBL27629 0.81 MRGPRX4 (0.67) KCNA3MRGPRX4MAPK1MAPTTDP1
SCHEMBL28244417 0.81 MAPK1 (0.62) IKBKBMRGPRX4MAPK1MAPTHTR1A
SCHEMBL11722317 0.81 IKBKB (0.53) KCNA3IKBKBABCB1KDM4CMRGPRX4
SCHEMBL13152509 0.80 KCNA3 (0.56) KCNA3IKBKBHTR1ADRD2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638622-A Photocatalytic alkane C (sp)3) Method for activating H bond and constructing C-C bond with aza arene 中国科学院理化技术研究所 2025-03-18 CN disclosed
CN-115093440-B Method for cross coupling of hydrosilane compound and azacyclo-aromatic compound 南昌大学 2022-12-06 CN disclosed
CN-115093440-A Method for cross coupling of hydrosilane compound and azacyclo-aromatic compound 南昌大学 2022-09-23 CN disclosed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
CN-109476663-B Pyrazolopyridine derivatives for the treatment of cancer 基因泰克公司 2021-11-09 CN disclosed
EP-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
CN-101460476-A Organic compounds NOVARTIS AG (CH) 2009-06-17 CN disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
CN-1608061-A Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2005-04-20 CN disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
CN-1275979-A Isoquinoline compounds useful as urokinase inhibitors PFIZER (US) 2000-12-06 CN disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 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 (4 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A KCNA3 1248/4885IKBKB 1603/4885ABCB1 2319/4885
US-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP KCNA3 2558/4885IKBKB 828/4885ABCB1 1203/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP KCNA3 2558/4885IKBKB 828/4885ABCB1 1203/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP KCNA3 2558/4885IKBKB 828/4885ABCB1 1203/4885

“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.