SCHEMBL21380958

SCHEMBL21380958

O=c1[c]cnc(N2CCCC2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ADORA1 P30542 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL21380954 0.98 MEN1 (0.42) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL21380912 0.80 HSD17B10 (0.33) CYP1A2HPGDHSD17B10ALDH1A1
SCHEMBL21380967 0.77
SCHEMBL21380948 0.77 IP6K1 (0.31)
SCHEMBL21380776 0.75 BPTF (0.38)
SCHEMBL803675 0.68 HSD17B10 (0.46) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL21380794 0.65 CHRNB2 (0.42)
SCHEMBL21388796 0.64 HPGD (0.47) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL159805 0.63
SCHEMBL21398887 0.62 KDM4E (0.44) MEN1KMT2ACYP1A2CYP2C19HPGD

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
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
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 MEN1 2793/4885KMT2A 2029/4885CYP1A2 4430/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 MEN1 2793/4885KMT2A 2029/4885CYP1A2 4430/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 MEN1 2793/4885KMT2A 2029/4885CYP1A2 4430/4885

“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.