SCHEMBL21380856

SCHEMBL21380856

COc1cc(-c2cccc(Cl)c2Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
GRM1 Q13255 1/20 0.47
CNR1 P21554 1/20 0.45
DYRK1A Q13627 1/20 0.44
IDO1 P14902 1/20 0.43
ACVR2A P27037 3/20 0.43
TGFBR2 P37173 3/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
EPHB4 P54760 1/20 0.40
TGFBR1 P36897 1/20 0.40
CNR2 P34972 1/20 0.40
GRM2 Q14416 1/20 0.39
CYP19A1 P11511 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
LRRK2 Q5S007 1/20 0.39
NUDT1 P36639 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL29564467 1.00 GRM5 (0.47) GRM5GRM1CNR1DYRK1AIDO1
SCHEMBL1264943 0.79 DYRK1A (0.45) GRM5GRM1CNR1DYRK1AIDO1
SCHEMBL6501884 0.78 RORC (0.46) CNR1DYRK1AIDO1CNR2
SCHEMBL744054 0.77 IDO1 (0.50) CNR1DYRK1AIDO1ACVR2ATGFBR2
SCHEMBL15781390 0.76 DYRK1A (0.45) CNR1DYRK1AIDO1ACVR2ATGFBR2
SCHEMBL17376184 0.76 ACVR2A (0.49) DYRK1AIDO1ACVR2ATGFBR2TGFBR1
SCHEMBL6507917 0.76 SCN9A (0.39) GRM5CNR1DYRK1AIDO1CNR2
SCHEMBL30626327 0.75 LOX (0.55) CNR1DYRK1AIDO1ACVR2ATGFBR2
SCHEMBL16116782 0.75 LOX (0.55) CNR1DYRK1AIDO1ACVR2ATGFBR2
SCHEMBL15768855 0.75 ACVR2A (0.49) CNR1DYRK1AIDO1ACVR2ATGFBR2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768664-B1 PYRAZINONE DERIVATIVES AS SHP2 INHIBITORS AND USES THEREOF SUZHOU PUHE BIOPHARMA CO LTD (CN) 2024-09-04 EP disclosed
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
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
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
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
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
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 GRM5 2361/4885GRM1 1593/4885CNR1 3964/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 GRM5 2361/4885GRM1 1593/4885CNR1 3964/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 GRM5 2361/4885GRM1 1593/4885CNR1 3964/4885

“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.