SCHEMBL8973225

SCHEMBL8973225

C[Si](C)(C)C#Cc1ccc(Cl)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ PLAU P00749 1/20 0.36
▸ PTK2 Q05397 1/20 0.34
▸ GRM5 P41594 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ MCHR1 Q99705 5/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL2322584 0.85 MCHR1 (0.45) BACE1MCHR1CYP2D6CHRM1HTR2A
SCHEMBL29471995 0.79 BACE1 (0.40) GRM5BACE1MCHR1CYP2D6CHRM1
SCHEMBL22531721 0.79 BACE1 (0.40) GRM5BACE1MCHR1CYP2D6CHRM1
SCHEMBL3958689 0.78 CCR1 (0.43) ADRA2AADRA2BADRA2CPLAUGRM5
SCHEMBL1914210 0.78 GRM5 (0.39) GRM5
SCHEMBL3348341 0.76 GRM5 (0.51) GRM5BACE1
SCHEMBL19453039 0.76 HCAR2 (0.34) GRM5
SCHEMBL3212577 0.76 ADRA2A (0.36) ADRA2AADRA2BADRA2CPLAUGRM5
SCHEMBL29350657 0.76 ADRA2A (0.37) ADRA2AADRA2BADRA2CGRM5BACE1
SCHEMBL1137069 0.76 ADRA2A (0.37) ADRA2AADRA2BADRA2CGRM5BACE1

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
CN-116217558-A GLP-1 receptor agonist, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-06-06 — — CN disclosed
US-20230058961-A1 SUBSTITUTED HETEROCYCLICS WITH THERAPEUTIC ACTIVITY IN HIV NATIONAL INSTITUTES OF HEALTH 2023-02-23 — — US disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 — — CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 — — EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 — — US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 — — US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 — — US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 — — US disclosed
EP-2670738-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-11 — — EP disclosed
CN-103339117-A 1,4 oxazines as bace1 and/or bace2 inhibitors HOFFMANN LA ROCHE 2013-10-02 — — CN disclosed
US-8399459-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
WO-2012104263-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — WO disclosed
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2012-08-02 — — US disclosed
US-5534635-A Process for preparing pyridine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 1996-07-09 — — US disclosed
US-5380861-A Process for preparing pyridine 2-carboxamides HOFFMANN-LA ROCHE INC. (US) 1995-01-10 — — 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 (4 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-20230058961-A1 SUBSTITUTED HETEROCYCLICS WITH THERAPEUTIC ACTIVITY IN HIV CD4, NFATC1, PAICS ADRA2A 3045/4885ADRA2B 3036/4885ADRA2C 2637/4885
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 ADRA2A 597/4885ADRA2B 640/4885ADRA2C 546/4885
US-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 ADRA2A 3111/4885ADRA2B 3489/4885ADRA2C 2284/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ADRA2A 3111/4885ADRA2B 3489/4885ADRA2C 2284/4885

“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.

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