SCHEMBL3050419

SCHEMBL3050419

COC(=O)C=Cc1cc(-c2cc3cc(C(=O)N4CCNCC4)ccc3[nH]2)c2c(c1N)C(=O)NC2=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
HRH4 Q9H3N8 2/20 0.36
ACACB O00763 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PARP1 P09874 1/20 0.35
RIPK1 Q13546 1/20 0.34
ATR Q13535 2/20 0.34
HSD11B1 P28845 1/20 0.34
MGLL Q99685 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
LRRK2 Q5S007 1/20 0.33
BTK Q06187 1/20 0.32

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
SCHEMBL3050410 1.00 KDR (0.49) KDRHRH4ACACBADORA2AADORA1
Hydrochloric Acid SCHEMBL3049633 0.78 KDR (0.58) KDRHRH4ADORA2AADORA1RIPK1
Hydrochloric Acid SCHEMBL5047143 0.78 KDR (0.60) KDRHRH4ADORA2AADORA1PARP1
Hydrochloric Acid SCHEMBL3048587 0.78 KDR (0.51) KDRHRH4ADORA2AADORA1PARP1
SCHEMBL3044993 0.76 KDR (0.54) KDRHRH4ADORA2AADORA1PARP1
SCHEMBL3048545 0.76 KDR (0.54) KDRHRH4ACACBADORA2AADORA1
SCHEMBL3033759 0.73 MEN1 (0.36) PARP1ATR
SCHEMBL5048277 0.72 KDR (0.53) KDRHRH4ADORA2AADORA1PARP1
Hydrochloric Acid SCHEMBL3047762 0.71 KDR (0.52) KDRHRH4ADORA2AADORA1PARP1
Hydrochloric Acid SCHEMBL3043780 0.70 KDR (0.54) KDRHRH4ACACBPARP1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 KDR 3226/4885HRH4 45/4885ACACB 3947/4885

“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.