SCHEMBL4501714

SCHEMBL4501714

O=C(Nc1cccc(-c2cccc3cnccc23)c1)NC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
BRAF P15056 1/20 0.55
RIPK1 Q13546 1/20 0.55
EPHX1 P07099 3/20 0.53
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
EPHX2 P34913 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
MET P08581 1/20 0.51
KDR P35968 1/20 0.51
MERTK Q12866 1/20 0.51

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
SCHEMBL29450608 0.83 POLB (0.60) POLBBRAFRIPK1EPHX1RAB9A
SCHEMBL13595613 0.80 EPHX1 (0.72) POLBEPHX1RAB9ANPC1SMN1; SMN2
SCHEMBL4527096 0.79 NPC1 (0.53) POLBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL14860966 0.79 EPHX1 (0.70) POLBEPHX1SMN1; SMN2MEN1KMT2A
SCHEMBL4962243 0.76 PRMT3 (0.70) POLBEPHX1RAB9ANPC1EPHX2
SCHEMBL4962163 0.76 PRMT3 (0.70) POLBEPHX1RAB9ANPC1EPHX2
SCHEMBL6724549 0.75 RAB9A (0.80) POLBEPHX1RAB9ANPC1EPHX2
SCHEMBL29450622 0.74 KMT2A (0.54) POLBEPHX1RAB9ANPC1SMN1; SMN2
SCHEMBL13198107 0.73 MAPK14 (0.64) POLBEPHX1RAB9ANPC1EPHX2
SCHEMBL13198112 0.73 MAPK14 (0.64) POLBEPHX1RAB9ANPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2009-11-26 US claimed
EP-1689717-B1 SUBSTITUTED ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LTD (GB) 2007-12-26 EP claimed
EP-1689717-A1 SUBSTITUTED ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2006-08-16 EP claimed
WO-2005049576-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2005-06-02 WO claimed
US-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2009-11-26 US disclosed
US-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2009-11-26 US disclosed
US-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2009-11-26 US disclosed
EP-1689717-B1 SUBSTITUTED ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LTD (GB) 2007-12-26 EP disclosed
EP-1689717-A1 SUBSTITUTED ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
WO-2005049576-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2005-06-02 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 (1 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-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS HRH4, NR1H2, NR1H3 POLB 1028/4885BRAF 2473/4885RIPK1 4712/4885

“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.