SCHEMBL13632604

SCHEMBL13632604

O=C(Nc1ccc(-c2cccc3cnccc23)cc1)Nc1ccc2c(c1)CCC2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.59
▸ NPC1 O15118 15/20 0.54
▸ RAB9A P51151 15/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ POLB P06746 4/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ TRPV1 Q8NER1 2/20 0.49
▸ TP53 P04637 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 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
SCHEMBL4527096 0.93 NPC1 (0.53) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL13459817 0.82 TRPV1 (0.53) KDRTRPV1
SCHEMBL13459838 0.79 MEN1 (0.55) KDRNPC1MEN1KMT2APOLB
SCHEMBL13459571 0.77 IMPDH2 (0.51) KDRTRPV1CA12CA1CA2
SCHEMBL13459594 0.76 HTR2B (0.53) KDRMEN1KMT2ATRPV1TP53
SCHEMBL13459592 0.76 RIPK1 (0.69) KDRTRPV1
SCHEMBL13459539 0.76 EGFR (0.60) KDRMEN1KMT2APOLBTRPV1
SCHEMBL13198113 0.75 POLB (0.56) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL13459834 0.75 CYP3A4 (0.58) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL13459944 0.74 CSF1R (0.55) KDRTRPV1

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 2 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 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

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 KDR 1599/4885NPC1 70/4885RAB9A 4171/4885

“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.

Send feedback