SCHEMBL5456717

SCHEMBL5456717

Brc1ccc(OCc2ccccc2)c2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
LRRK2 Q5S007 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
IKBKB O14920 3/20 0.42
POLB P06746 1/20 0.42
MAPK14 Q16539 2/20 0.42
LTA4H P09960 1/20 0.42
AXL P30530 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL30250452 0.82 GPR84 (0.51) SMN1; SMN2PLAUPLATHTR1ADRD2
SCHEMBL1356852 0.82 GPR84 (0.51) SMN1; SMN2PLAUPLATHTR1ADRD2
SCHEMBL30452934 0.80 ABCB1 (0.50) ABCB1ALDH1A1SMN1; SMN2HTTLRRK2
SCHEMBL22489920 0.80 ABCB1 (0.50) ABCB1ALDH1A1SMN1; SMN2HTTLRRK2
SCHEMBL3606177 0.80 ABCB1 (0.50) ABCB1ALDH1A1SMN1; SMN2HTTLRRK2
SCHEMBL31364101 0.76 KCNA3 (0.65) ABCB1ALDH1A1KDM4CPLAUPLAT
SCHEMBL21266927 0.76 IKBKB (0.50) ABCB1ALDH1A1SMN1; SMN2KDM4CPLAU
SCHEMBL5440998 0.76 AXL (0.44) ALDH1A1SMN1; SMN2HTTPOLBMAPK14
SCHEMBL5445170 0.76 KCNA3 (0.65) ABCB1ALDH1A1KDM4CPLAUPLAT
SCHEMBL416462 0.75 MAPT (0.57) SMN1; SMN2PLAUPLATHTR1ADRD2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
EP-3464286-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER Genentech, Inc. (US) 2019-04-10 EP disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO 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
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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 ABCB1 2319/4885ALDH1A1 816/4885SMN1; SMN2 773/4885
US-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP ABCB1 1203/4885ALDH1A1 2002/4885SMN1; SMN2 2021/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP ABCB1 1203/4885ALDH1A1 2002/4885SMN1; SMN2 2021/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP ABCB1 1203/4885ALDH1A1 2002/4885SMN1; SMN2 2021/4885

“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.