SCHEMBL28466905

SCHEMBL28466905

O=C(O)c1ccnc(N2CCNCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.68
KDM4C Q9H3R0 10/20 0.59
KDM5C P41229 2/20 0.59
PRKD1 Q15139 2/20 0.54
PRKD2 Q9BZL6 2/20 0.54
PRKD3 O94806 1/20 0.54
ADRB1 P08588 1/20 0.54
KDM2B Q8NHM5 3/20 0.51
PLD1 Q13393 1/20 0.50
AOC3 Q16853 1/20 0.49
KDM5A P29375 7/20 0.49
KDM5B Q9UGL1 5/20 0.49
KDM4A O75164 4/20 0.48
HRH3 Q9Y5N1 1/20 0.46
DYRK1A Q13627 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
TET3 O43151 1/20 0.46
BBOX1 O75936 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1592602 0.88 PRKD1 (0.61) PIK3CAKDM4CKDM5CPRKD1PRKD2
SCHEMBL27786169 0.86 PRKD1 (0.66) PIK3CAKDM4CKDM5CPRKD1PRKD2
SCHEMBL8255945 0.86 PRKD1 (0.53) PIK3CAKDM4CKDM5CPRKD1PRKD2
SCHEMBL31143236 0.85 PIK3CA (0.74) PIK3CAKDM4CKDM5CPRKD1PRKD2
SCHEMBL1516867 0.85 PIK3CA (0.74) PIK3CAKDM4CKDM5CPRKD1PRKD2
Hydrochloric Acid SCHEMBL1252523 0.84 PIK3CA (0.72) PIK3CAKDM4CKDM5CPRKD1PRKD2
SCHEMBL1255519 0.84 PIK3CA (0.72) PIK3CAKDM4CKDM5CPRKD1PRKD2
SCHEMBL30505327 0.84 PIK3CA (0.72) PIK3CAKDM4CKDM5CPRKD1PRKD2
SCHEMBL1021177 0.82 HRH3 (0.54) PIK3CAKDM4CKDM5CPRKD1PRKD2
Hydrochloric Acid SCHEMBL23630502 0.81 HRH3 (0.53) PIK3CAKDM4CKDM5CPRKD1PRKD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 PIK3CA 2377/4885KDM4C 2683/4885KDM5C 1639/4885

“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.