SCHEMBL21398886

SCHEMBL21398886

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 1/20 0.41
TMIGD3 P0DMS9 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNKS2 Q9H2K2 2/20 0.35
MAPK1 P28482 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PDE2A O00408 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
SCHEMBL21399133 0.99 KDM4E (0.45) KDM4EMAPTTMIGD3RAB9ASMN1; SMN2
SCHEMBL21398887 0.85 KDM4E (0.44) KDM4EMAPTTMIGD3RAB9ASMN1; SMN2
SCHEMBL24866477 0.83 KDM4E (0.42) KDM4EMAPTTMIGD3RAB9ASMN1; SMN2
SCHEMBL21399129 0.81 KDM4E (0.40) KDM4EMAPTTMIGD3RAB9ASMN1; SMN2
SCHEMBL21399022 0.81 MAPT (0.34) MAPTMEN1KMT2ATSHRHSD17B10
SCHEMBL21399098 0.79 KMT2A (0.39) MAPTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21388796 0.75 HPGD (0.47) KDM4EMAPTTMIGD3RAB9ASMN1; SMN2
SCHEMBL21399318 0.73 MEN1 (0.35) KDM4ETMIGD3RAB9ASMN1; SMN2MEN1
SCHEMBL21325363 0.68 BCHE (0.34) KDM4EMAPTRAB9ASMN1; SMN2HPGD
SCHEMBL21398930 0.67 SPR (0.33) KDM4EMAPTHPGDHSD17B10CYP1A2

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 1596/4885MAPT 4707/4885TMIGD3 4111/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 KDM4E 1596/4885MAPT 4707/4885TMIGD3 4111/4885

“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.