SCHEMBL2966822

SCHEMBL2966822

C[Si](C)(C)C#Cc1ncc(Cl)nc1N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CDK2 P24941 1/20 0.31
MAPKAPK2 P49137 3/20 0.31
CSNK1A1 P48729 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL30259326 0.86 MAPKAPK2 (0.37) ALDH1A1CDK2MAPKAPK2
SCHEMBL17204459 0.86 MAPKAPK2 (0.37) ALDH1A1CDK2MAPKAPK2
SCHEMBL20977360 0.81 ALDH1A1 (0.33) ALDH1A1CDK2MAPKAPK2CSNK1A1CLK4
SCHEMBL12791033 0.80
SCHEMBL24367881 0.78 CDK2 (0.33) CDK2CSNK1A1CLK4
SCHEMBL26127401 0.77 MAPKAPK2 (0.35) ALDH1A1CDK2MAPKAPK2
SCHEMBL24323977 0.77 TLR7 (0.38) ALDH1A1CDK2MAPKAPK2
SCHEMBL30588906 0.77 MAPKAPK2 (0.35) ALDH1A1CDK2MAPKAPK2
SCHEMBL19457843 0.75 CDK2 (0.31) CDK2
SCHEMBL26122570 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089597-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-03-24 US disclosed
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-10-07 US disclosed
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-10-07 US disclosed
US-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA CADILA HEALTHCARE LIMITED (IN) 2021-09-23 US disclosed
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-04-13 US disclosed
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-04-13 US disclosed
CN-112543757-A Condensed azaheteroaryl compounds having antibacterial activity against tubercle bacillus 卡迪拉保健有限公司 2021-03-23 CN disclosed
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-06-20 US disclosed
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-06-20 US disclosed
EP-3310779-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2019-05-08 EP disclosed
WO-2016203404-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203404-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO 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-20220089597-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 3953/4885CDK2 991/4885MAPKAPK2 727/4885
US-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS ALDH1A1 615/4885CDK2 182/4885MAPKAPK2 93/4885
US-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA DPEP1, SAT1, PEPD ALDH1A1 152/4885CDK2 850/4885MAPKAPK2 3059/4885
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 4341/4885CDK2 623/4885MAPKAPK2 442/4885
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 3953/4885CDK2 991/4885MAPKAPK2 727/4885
US-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 ALDH1A1 4659/4885CDK2 1218/4885MAPKAPK2 738/4885
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 3953/4885CDK2 991/4885MAPKAPK2 727/4885

“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.