SCHEMBL21398890

SCHEMBL21398890

CC(C)c1cnc(N2CC3(CCCC3)C2)c(=O)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PDE9A O76083 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL24866878 0.87 PDE9A (0.38) PDE9A
SCHEMBL21388735 0.82 KDM5A (0.37) HSD17B10ALDH1A1
SCHEMBL24866843 0.81 KDM5A (0.39) HSD17B10ALDH1A1
SCHEMBL21399364 0.77 CNR2 (0.32) HSD17B10ALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL24866713 0.76 PTPN11 (0.41)
SCHEMBL21399141 0.75
SCHEMBL23173104 0.75 PTPN11 (0.44)
SCHEMBL21399329 0.75 ENPP1 (0.32) PDE9A
SCHEMBL21399254 0.75 PDE9A (0.36) PDE9A
SCHEMBL24866507 0.74 ENPP1 (0.35)

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 HSD17B10 2308/4885ALDH1A1 3180/4885HPGD 2665/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 HSD17B10 2308/4885ALDH1A1 3180/4885HPGD 2665/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 HSD17B10 2308/4885ALDH1A1 3180/4885HPGD 2665/4885

“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.