Isoquinoline

Isoquinoline

SCHEMBL6846502

C#Cc1ccccc1C(=O)OCC.c1ccc2cnccc2c1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TP53 P04637 2/20 0.45
CDC25B P30305 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
BRAF P15056 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL19638940 0.84 TSHR (0.67) TSHRTP53CDC25BALDH1A1HSD17B10
SCHEMBL31339220 0.83 TSHR (0.47) TSHRTP53ALDH1A1HSD17B10MAPT
SCHEMBL31366358 0.82 TSHR (0.46) TSHRTP53ALDH1A1HSD17B10MAPK1
Isoquinoline SCHEMBL28038089 0.79 SCN1A (0.50) TSHRTP53ALDH1A1HSD17B10MAPT
SCHEMBL28743123 0.77 TSHR (0.56) TSHRCDC25BALDH1A1HSD17B10CDC25A
SCHEMBL29702036 0.75 CDC25B (0.57) TSHRTP53CDC25BALDH1A1HSD17B10
SCHEMBL11143673 0.75 CDC25B (0.57) TSHRTP53CDC25BALDH1A1HSD17B10
SCHEMBL26117107 0.75 CDC25B (0.57) TSHRTP53CDC25BALDH1A1HSD17B10
Isoquinoline SCHEMBL29093040 0.74 CCNC (0.45) TSHRTP53ALDH1A1HSD17B10MAPK1
SCHEMBL6365622 0.72 TSHR (0.71) TSHRTP53CDC25BALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TSHR 2259/4885TP53 397/4885CDC25B 187/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TSHR 2259/4885TP53 397/4885CDC25B 187/4885

“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.