SCHEMBL20564181

SCHEMBL20564181

COc1ccc(COc2nc(-c3cncs3)nc(-c3cnn(C)c3)c2C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 0.43
NTRK1 P04629 2/20 0.39
NTRK3 Q16288 2/20 0.39
NTRK2 Q16620 2/20 0.39
CD38 P28907 2/20 0.37
MET P08581 1/20 0.37
MAPK8 P45983 1/20 0.36
KDM5B Q9UGL1 2/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
PRMT5 O14744 2/20 0.35
CLK1 P49759 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALKBH1 Q13686 1/20 0.34
KDM5A P29375 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
SCHEMBL20564745 0.87 KDM5B (0.45) KDM5BALDH1A1LMNAHTTNPSR1
SCHEMBL20565319 0.81 CSF1R (0.48) CSF1RNTRK1NTRK3NTRK2MET
SCHEMBL20564297 0.80 APP (0.35) ALDH1A1LMNAHTTNPSR1HRH4
SCHEMBL20565382 0.76 KDM5B (0.41) CD38METKDM5BKDM5A
SCHEMBL20564281 0.70 KDM5B (0.40) CSF1RKDM5BALDH1A1LMNAKDM5A
SCHEMBL20565264 0.70 APP (0.36) CSF1RALDH1A1LMNAHTTNPSR1
SCHEMBL20957941 0.69 CARM1 (0.32) ALDH1A1LMNAHTTHRH4
SCHEMBL20958117 0.69 KDM5B (0.41) CSF1RKDM5BKDM5A
SCHEMBL20564905 0.68 AR (0.38) ALDH1A1LMNAHTTNPSR1
SCHEMBL20958053 0.66

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 CSF1R 2849/4885NTRK1 4076/4885NTRK3 3409/4885

“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.