SCHEMBL803894

SCHEMBL803894

CN1CCC(C(=N)N)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.57
NCF1 P14598 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
HTT P42858 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL28006037 0.77 NOS2 (0.60) NOS2SMN1; SMN2NOS3NOS1
SCHEMBL13437768 0.77 NCF1 (0.37) NCF1ALDH1A1HTTLMNA
SCHEMBL27499393 0.75 NOS2 (0.57) NOS2SMN1; SMN2NOS3NOS1
SCHEMBL274448 0.75 SMN1; SMN2 (0.59) NCF1SMN1; SMN2ALDH1A1POLBGAA
SCHEMBL3886801 0.75 NCF1 (0.41) NCF1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL23794214 0.75 NCF1 (0.36) NCF1ALDH1A1HTTLMNA
SCHEMBL11039671 0.75 SMN1; SMN2 (0.59) NCF1SMN1; SMN2ALDH1A1POLBGAA
SCHEMBL19622413 0.75 NCF1 (0.41) NCF1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL20376330 0.75 NCF1 (0.37) NCF1ALDH1A1HTTPOLB
SCHEMBL14919421 0.75 NOS2 (0.50) NOS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175081-A1 SHP2 INHIBITOR COMPOUND AND USE THEREOF 深圳真实生物医药科技有限公司 2024-08-29 WO disclosed
EP-3967695-B1 1-(7-(QUINAZOLIN-4-YL)-2,7-DIAZASPIRO[3.5]NONAN-2-YL)PROP-2-EN-1-ONE DERIVATIVES AS KRAS INHIBITORS FOR THE TREATMENT OF CANCER BETTA PHARMACEUTICALS CO LTD (CN) 2024-01-17 EP disclosed
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US disclosed
WO-2018109650-A1 SPIRO[CYCLOPENTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-06-21 WO disclosed
WO-2018072697-A1 OXADIAZOLE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITE, AND APPLICATION THEREOF 上海医药集团股份有限公司 2018-04-26 WO disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (2 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 NOS2 3883/4885NCF1 2055/4885SMN1; SMN2 1352/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 NOS2 3883/4885NCF1 2055/4885SMN1; SMN2 1352/4885

“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.