SCHEMBL29620463

SCHEMBL29620463

O=C1c2ccncc2CN1CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
USP19 O94966 1/20 0.39
PRF1 P14222 1/20 0.37
GABRA1 P14867 1/20 0.36
CYP11B2 P19099 1/20 0.36
DHPS P49366 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29620451 0.84 KDM4E (0.40) KDM4EALOX15TSHRSIRT1NPSR1
SCHEMBL15164719 0.84 PKN2 (0.42) KDM4EALOX15TSHRSIRT1PARP1
SCHEMBL29620459 0.81 IDH1 (0.40) KDM4EALOX15TSHRSIRT1NPSR1
SCHEMBL29620469 0.81 ALDH1A1 (0.49) KDM4EALOX15TSHRSIRT1PARP1
SCHEMBL29620441 0.77 USP19 (0.42) KDM4EALOX15TSHRSIRT1NPSR1
SCHEMBL9466888 0.77 KDM4E (0.69) KDM4EALOX15TSHRSIRT1PARP1
SCHEMBL5637049 0.77 KDM4E (0.69) KDM4EALOX15TSHRSIRT1PARP1
SCHEMBL31667471 0.77 DHPS (0.46) DHPS
SCHEMBL11923831 0.75 CYP11B2 (0.41) PARP1NPSR1PRF1CYP11B2CYP3A4
SCHEMBL29370739 0.74 PARP1 (0.46) KDM4EALOX15TSHRSIRT1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555597-B Isocitrate Dehydrogenase (IDH) inhibitors 浙江迈同生物医药有限公司 2024-06-04 CN claimed
EP-4041732-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2022-08-17 EP claimed
CN-114555597-A Isocitrate Dehydrogenase (IDH) inhibitors 浙江迈同生物医药有限公司 2022-05-27 CN claimed
US-12441725-B2 ISO-citrate dehydrogenase (IDH) inhibitor ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2025-10-14 US disclosed
US-20240116917-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2024-04-11 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-20240116917-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR IDH2, IDH3A, IDH1 KDM4E 573/4885ALOX15 4636/4885TSHR 4466/4885
US-12441725-B2 ISO-citrate dehydrogenase (IDH) inhibitor IDH2, IDH3A, IDH1 KDM4E 573/4885ALOX15 4636/4885TSHR 4466/4885

“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.