SCHEMBL21380955

SCHEMBL21380955

O=c1[nH][c]cnc1N1CCC2(CCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 14/20 0.35
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KA5 O75582 1/20 0.33
CHEK2 O96017 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
LYN P07948 1/20 0.33
SRC P12931 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3B P49841 1/20 0.33
PRKCZ Q05513 1/20 0.33

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
SCHEMBL21380882 0.86 HSD17B10 (0.32) CYP3A4CYP2D6TSHRALDH1A1CYP1A2
SCHEMBL21380915 0.84 JAK2 (0.39) TSHRMAPK1AKT2ALDH1A1CYP1A2
SCHEMBL21380839 0.83 ENPP1 (0.33)
SCHEMBL21380845 0.82 JAK2 (0.41) MAPK1AKT2ALDH1A1CYP1A2
SCHEMBL21380773 0.82 CYP11B1 (0.38) PDE9ACYP11B1CYP11B2
SCHEMBL21380945 0.82 SCN9A (0.34) PDE9ACYP3A4CYP2D6TSHRMAPK1
SCHEMBL21380875 0.77 PTPN11 (0.37)
SCHEMBL21380911 0.77 PTPN11 (0.32) CYP2D6AKT1AKT2GSK3B
SCHEMBL21380767 0.77 PTPN11 (0.42)
SCHEMBL21380891 0.77 ENPP1 (0.35) AKT2GSK3B

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 12 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 claimed
WO-2021061515-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2021-04-01 WO claimed
EP-3768664-A1 SHP2 INHIBITORS AND USES THEREOF Synblia Therapeutics, Inc. (US) 2021-01-27 EP claimed
US-10561655-B2 SHP2 inhibitors and uses thereof SYNBLIA THERAPEUTICS, INC. (US) 2020-02-18 US claimed
WO-2019182960-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2019-09-26 WO claimed
US-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2023-01-12 US disclosed
CN-114502165-A SHP2 inhibitor and application thereof 苏州浦合医药科技有限公司 2022-05-13 CN disclosed
WO-2021061515-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2021-04-01 WO disclosed
EP-3768664-A1 SHP2 INHIBITORS AND USES THEREOF Synblia Therapeutics, Inc. (US) 2021-01-27 EP disclosed
US-10561655-B2 SHP2 inhibitors and uses thereof SYNBLIA THERAPEUTICS, INC. (US) 2020-02-18 US disclosed
WO-2019182960-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2019-09-26 WO 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 PDE9A 718/4885CYP3A4 4734/4885CYP2D6 4249/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 PDE9A 718/4885CYP3A4 4734/4885CYP2D6 4249/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 PDE9A 718/4885CYP3A4 4734/4885CYP2D6 4249/4885

“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.