SCHEMBL21398887

SCHEMBL21398887

CC(C)c1cnc(N2CCCCC2)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
TMIGD3 P0DMS9 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PDE2A O00408 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
KDM5B Q9UGL1 2/20 0.36
PKM P14618 1/20 0.36
CSF1R P07333 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL24866477 0.98 KDM4E (0.42) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL21399129 0.86 KDM4E (0.40) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL21398886 0.85 KDM4E (0.44) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL21399133 0.83 KDM4E (0.45) KDM4EHPGDMEN1KMT2AMAPT
SCHEMBL21398930 0.80 SPR (0.33) KDM4EHPGDCYP1A2MAPTALDH1A1
SCHEMBL21388796 0.80 HPGD (0.47) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL21398891 0.78 MAPT (0.32) MAPT
SCHEMBL24867055 0.78 MAPT (0.32) MAPT
SCHEMBL21399075 0.77 CYP11B1 (0.39) HPGDMEN1KMT2AMAPT
SCHEMBL21325363 0.76 BCHE (0.34) KDM4EHPGDMEN1KMT2ACYP1A2

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-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2023-01-12 US disclosed
US-10561655-B2 SHP2 inhibitors and uses thereof SYNBLIA THERAPEUTICS, INC. (US) 2020-02-18 US disclosed
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2019-09-26 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 (3 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-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 KDM4E 1596/4885HPGD 2665/4885MEN1 2793/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 KDM4E 1596/4885HPGD 2665/4885MEN1 2793/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 KDM4E 1596/4885HPGD 2665/4885MEN1 2793/4885

“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.