SCHEMBL5333071

SCHEMBL5333071

O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 1.00
AURKA O14965 13/20 1.00
CDK1 P06493 1/20 0.73
CHEK1 O14757 1/20 0.51
PARP1 P09874 1/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 2/20 0.44
CREBBP Q92793 2/20 0.44
NPC1 O15118 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
SCHEMBL5331800 0.84 AURKA (1.00) KDRAURKACDK1PARP1
SCHEMBL5314912 0.81 KDR (1.00) KDRAURKACDK1CA12CA9
SCHEMBL5312152 0.79 AURKA (1.00) KDRAURKACDK1KDM4EALDH1A1
SCHEMBL3033775 0.77 KDR (0.63) KDRAURKACDK1CHEK1RAB9A
SCHEMBL3835222 0.77 KDR (0.62) KDRAURKACDK1CHEK1PARP1
SCHEMBL3840660 0.77 KDR (0.62) KDRAURKACDK1CHEK1RAB9A
SCHEMBL14468698 0.77 KDR (0.83) KDRAURKACDK1
SCHEMBL29727516 0.77 KDR (0.60) KDRAURKACHEK1CA12CA9
SCHEMBL5327042 0.76 KDR (1.00) KDRAURKACDK1
Hydrochloric Acid SCHEMBL3046615 0.75 AURKA (0.68) KDRAURKACDK1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US claimed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 WO claimed
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US disclosed
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US disclosed
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US disclosed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 WO disclosed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 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 (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-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders MAP3K20, MAP3K3, MAP3K19 KDR 1627/4885AURKA 669/4885CDK1 106/4885

“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.