SCHEMBL21399129

SCHEMBL21399129

CC(S)c1cnc(N2CCCC2)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
TMIGD3 P0DMS9 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE2A O00408 1/20 0.37
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA1 P30542 1/20 0.34
SPR P35270 1/20 0.34
TNKS O95271 2/20 0.34
PARP1 P09874 2/20 0.34
TNKS2 Q9H2K2 2/20 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
SCHEMBL24866477 0.87 KDM4E (0.42) KDM4EHPGDMAPTTMIGD3RAB9A
SCHEMBL21398887 0.86 KDM4E (0.44) KDM4EHPGDMAPTTMIGD3RAB9A
SCHEMBL21399133 0.82 KDM4E (0.45) KDM4EHPGDMAPTTMIGD3RAB9A
SCHEMBL21398886 0.81 KDM4E (0.44) KDM4EHPGDMAPTTMIGD3RAB9A
SCHEMBL21388796 0.76 HPGD (0.47) KDM4EHPGDMAPTTMIGD3RAB9A
SCHEMBL21325363 0.71 BCHE (0.34) KDM4EHPGDMAPTRAB9ASMN1; SMN2
SCHEMBL21398930 0.70 SPR (0.33) KDM4EHPGDMAPTCYP1A2HSD17B10
SCHEMBL21398891 0.68 MAPT (0.32) MAPT
SCHEMBL24867055 0.68 MAPT (0.32) MAPT
SCHEMBL24127163 0.66 MAPT (0.41) KDM4EMAPTPKMMEN1KMT2A

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-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 (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-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 KDM4E 1596/4885HPGD 2665/4885MAPT 4707/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 KDM4E 1596/4885HPGD 2665/4885MAPT 4707/4885

“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.