SCHEMBL20565461

SCHEMBL20565461

COc1ccc(COc2nc(-n3ccnc3)nc(-c3cnn(C(C)C)c3)c2C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP11B1 P15538 2/20 0.35
TBXAS1 P24557 3/20 0.35
PDE5A O76074 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KDM5A P29375 1/20 0.35
CSF1R P07333 3/20 0.35
LRRK2 Q5S007 2/20 0.35
NOS2 P35228 1/20 0.35
JAK2 O60674 3/20 0.34
FLT3 P36888 3/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL20565263 0.85 CYP26A1 (0.37) KDM5BKDM4EALDH1A1KMT2ATDP1
SCHEMBL20564185 0.82 TBXAS1 (0.39) KDM5BTBXAS1NOS2JAK2JAK1
SCHEMBL20564281 0.81 KDM5B (0.40) KDM5BALDH1A1KMT2AKDM5ACSF1R
SCHEMBL20564820 0.80 CYP19A1 (0.38) KDM4EALDH1A1KMT2ATDP1CYP11B1
SCHEMBL20564198 0.80 CYP26A1 (0.39) KDM4EALDH1A1KMT2ATDP1CYP11B1
SCHEMBL20958117 0.79 KDM5B (0.41) KDM5BKDM5ACSF1RLRRK2JAK2
SCHEMBL20564907 0.79 KDM4E (0.41) KDM4EALDH1A1KMT2ATDP1CYP11B1
SCHEMBL20564989 0.77 KDM5B (0.42) KDM5BKMT2ATDP1KDM5AJAK2
SCHEMBL20564651 0.76 CYP26A1 (0.47) KDM4EALDH1A1TBXAS1PDE5APDE3B
SCHEMBL20564189 0.75 CYP26A1 (0.49) KDM4EALDH1A1KMT2ATBXAS1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2018213777-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-22 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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C KDM5B 2/4885KDM4E 13/4885ALDH1A1 1687/4885

“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.