SCHEMBL4096085

SCHEMBL4096085

O=C(O)N1C[C@@H]2C[C@H]1CN2c1nn(-c2ccnc(NCc3ccccc3)c2)c2cccc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPK1 P28482 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
NOS2 P35228 1/20 0.34
SLC6A7 Q99884 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GBA1 P04062 1/20 0.33
ENPP2 Q13822 1/20 0.33
DGAT1 O75907 1/20 0.33
VCP P55072 1/20 0.33
PRCP P42785 1/20 0.32
ITGAL P20701 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
SCHEMBL6531195 0.90 MAPK8 (0.43) CCNT1CDK9ACHE
SCHEMBL4091386 0.83 HRH4 (0.40) MAPK1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4103090 0.81 ITGAL (0.40) KDM5AKDM4CKDM5BVCPITGAL
SCHEMBL6531196 0.81 KDM5A (0.33) KDM5AKDM4CKDM5BMAPK1NOS2
SCHEMBL4095076 0.75 NOS2 (0.40) MAPK1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL4094568 0.74 NOS2 (0.39) MAPK1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4094799 0.73 NOS2 (0.38) MAPK1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4095141 0.73 PLK1 (0.40)
SCHEMBL6533541 0.73 MAPK8 (0.43) ENPP2ITGALMAPK14ACHE
SCHEMBL4096056 0.73 PLK1 (0.41)

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-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US claimed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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 (2 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 KDM5A 3768/4885KDM4C 3371/4885KDM5B 4211/4885
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.