SCHEMBL21380845

SCHEMBL21380845

O=c1[nH][c]cnc1N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
HPGD P15428 1/20 0.36
DAO P14920 1/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
AKT2 P31751 1/20 0.36
MAP3K5 Q99683 1/20 0.36
MAPT P10636 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
JAK3 P52333 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
IP6K1 Q92551 3/20 0.35
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL21380915 0.98 JAK2 (0.39) JAK2HPGDDAOHTTLMNA
SCHEMBL21380955 0.82 PDE9A (0.35) ALDH1A1AKT2CYP1A2MAPK1
SCHEMBL21380882 0.77 HSD17B10 (0.32) HPGDALDH1A1CYP1A2
SCHEMBL21380802 0.75 PTPN11 (0.44)
SCHEMBL21380767 0.75 PTPN11 (0.42)
SCHEMBL21380875 0.75 PTPN11 (0.37)
SCHEMBL21380891 0.75 ENPP1 (0.35) AKT2
SCHEMBL21380839 0.75 ENPP1 (0.33)
SCHEMBL21380945 0.74 SCN9A (0.34) HPGDALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL21380924 0.73 BPTF (0.38)

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 16 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
CN-114502165-A SHP2 inhibitor and application thereof 苏州浦合医药科技有限公司 2022-05-13 CN claimed
WO-2021061515-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2021-04-01 WO claimed
CN-112368272-A SHP2 inhibitor and application thereof 新标立亚医疗有限公司 2021-02-12 CN 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
CN-112368272-B SHP2 inhibitors and uses thereof 苏州浦合医药科技有限公司 2023-04-21 CN disclosed
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
CN-112368272-A SHP2 inhibitor and application thereof 新标立亚医疗有限公司 2021-02-12 CN 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 JAK2 49/4885HPGD 2665/4885DAO 4019/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 JAK2 49/4885HPGD 2665/4885DAO 4019/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 JAK2 49/4885HPGD 2665/4885DAO 4019/4885

“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.