SCHEMBL985377

SCHEMBL985377

O=C(O)N1CCc2nc(Br)sc2C1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL25390011 0.87 GRM5 (0.34) GRM5NPC1RAB9A
SCHEMBL1503764 0.84 GRM5 (0.33) GRM5NPC1RAB9A
SCHEMBL28895700 0.82 GRM5 (0.44) GRM5NPC1RAB9A
SCHEMBL175426 0.82 RAD52 (0.53) GRM5NPC1RAB9A
SCHEMBL22396285 0.82 GRM5 (0.44) GRM5NPC1RAB9A
SCHEMBL3441402 0.80 NPC1 (0.45) GRM5NPC1RAB9A
SCHEMBL5779792 0.80 GRM5 (0.42) GRM5NPC1RAB9A
SCHEMBL28371109 0.78 NPC1 (0.44) GRM5NPC1RAB9A
SCHEMBL25345358 0.78 GRM5 (0.53) GRM5
SCHEMBL165650 0.78 GRAMD1A (0.53)

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed
CN-116115764-A Tetrahydroimidazo [4,5-C ] pyridine derivatives as PD-L1 internalization inducers 因赛特公司 2023-05-16 CN disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-110267953-B Tetrahydroimidazo [4,5-C ] pyridine derivatives as inducers of PD-L1 internalization 因赛特公司 2022-12-20 CN disclosed
CN-115315423-A Substituted aryl compounds 先声药业有限公司 2022-11-08 CN disclosed
CN-114728926-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-07-08 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
CN-108699038-B Spirocyclic heptane salicylamides and related compounds as Rock inhibitors 百时美施贵宝公司 2021-04-16 CN disclosed
CN-112566905-A Substituted phenyl propenyl pyridine derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2021-03-26 CN disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (7 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S GRM5 2706/4885NPC1 3135/4885RAB9A 3871/4885
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 GRM5 3779/4885NPC1 2194/4885RAB9A 748/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885NPC1 3358/4885RAB9A 3294/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885NPC1 3358/4885RAB9A 3294/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885NPC1 3358/4885RAB9A 3294/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 GRM5 1526/4885NPC1 1406/4885RAB9A 2113/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 GRM5 3779/4885NPC1 2194/4885RAB9A 748/4885

“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.