SCHEMBL6531196

SCHEMBL6531196

CC(C)(C)[C@]12C[C@@H](CN1C(=O)O)N(c1nn(-c3ccnc(NCc4ccccc4)c3)c3cccc(Cl)c13)C2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
IGF1R P08069 1/20 0.32
CCNT1 O60563 6/20 0.32
CDK9 P50750 5/20 0.32
NOS2 P35228 1/20 0.32
MAPK1 P28482 2/20 0.32
VCP P55072 1/20 0.31
ACHE P22303 1/20 0.31
GRK2 P25098 1/20 0.30
BDKRB1 P46663 1/20 0.30

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
SCHEMBL6533544 0.83 VCP (0.33) KDM5AKDM4CKDM5BIGF1RNOS2
SCHEMBL4096085 0.81 KDM5A (0.35) KDM5AKDM4CKDM5BCCNT1CDK9
SCHEMBL6531195 0.79 MAPK8 (0.43) CCNT1CDK9ACHE
SCHEMBL4091386 0.77 HRH4 (0.40) CCNT1CDK9NOS2MAPK1
SCHEMBL5983913 0.71 HCRTR1 (0.33) IGF1RMAPK1VCPACHE
SCHEMBL4095076 0.66 NOS2 (0.40) CCNT1CDK9NOS2MAPK1ACHE
SCHEMBL4099608 0.65 MAOB (0.42) NOS2
SCHEMBL4089781 0.65 MAOB (0.42) NOS2
SCHEMBL4094568 0.65 NOS2 (0.39) IGF1RCCNT1CDK9NOS2MAPK1
SCHEMBL4103090 0.65 ITGAL (0.40) KDM5AKDM4CKDM5BVCPACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed

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-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 KDM5A 4190/4885KDM4C 3586/4885KDM5B 4517/4885

“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.