SCHEMBL2768161

SCHEMBL2768161

O=C(NC1CC1)c1cccc2c1CCc1cccc3[nH]nc-2c13

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
MAPK8 P45983 2/20 0.45
MAPK9 P45984 2/20 0.45
MAPK10 P53779 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
P2RX7 Q99572 1/20 0.40
CRHR1 P34998 2/20 0.40
KIT P10721 2/20 0.39
FLT3 P36888 2/20 0.39
SMYD3 Q9H7B4 3/20 0.39
CHEK1 O14757 2/20 0.39
LRRK2 Q5S007 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL2769034 0.86 ALDH1A1 (0.46) KDRKDM4EALDH1A1HPGDMAPK8
SCHEMBL2768004 0.82 MAPK8 (0.52) KDRKDM4EALDH1A1MAPK8MAPK9
SCHEMBL2769418 0.82 ABL1 (0.46) KDRKDM4EALDH1A1HPGDMAPK8
SCHEMBL2769382 0.77 NPC1 (0.44) KDRKDM4EALDH1A1MAPK8MAPK9
SCHEMBL2771632 0.77 MAPK8 (0.44) KDRKDM4EALDH1A1HPGDMAPK8
SCHEMBL2768537 0.77 KDR (0.49) KDRKDM4EALDH1A1HPGDMAPK8
SCHEMBL2768451 0.77 NPSR1 (0.47) KDM4EALDH1A1HPGDMAPK8SMN1; SMN2
SCHEMBL2768810 0.76 KMT2A (0.50) ALDH1A1HPGDMAPK10SMN1; SMN2MEN1
SCHEMBL2771305 0.74 MAPK8 (0.57) KDRKDM4EALDH1A1HPGDMAPK8
SCHEMBL2768727 0.72 MAPK8 (0.52) KDRKDM4EALDH1A1HPGDMAPK8

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
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-20060111419-A1 Novel fused indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-25 US disclosed
EP-1479670-A1 NOVEL FUSED RING INDAZOLE COMPOUNDS Eisai Co., Ltd. (JP) 2004-11-24 EP 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-20060111419-A1 Novel fused indazole compounds MAP2K3, MAP3K11, MAP2K2 KDR 3156/4885KDM4E 2941/4885ALDH1A1 1751/4885

“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.