SCHEMBL1815909

SCHEMBL1815909

CN1CCN(c2cc(Nc3ncc(C#N)s3)nc(SC3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.51
GPR119 Q8TDV5 5/20 0.46
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
NSD2 O96028 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
SIK1 P57059 1/20 0.38
SIK2 Q9H0K1 1/20 0.38
SIK3 Q9Y2K2 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
SCHEMBL12656931 0.90 KDR (0.60) KDRKITFLT3SIK1SIK2
SCHEMBL1532347 0.90 KDR (0.55) KDRKITFLT3SIK1SIK2
SCHEMBL12656674 0.88 KDR (0.62) KDRKITFLT3SIK1SIK2
SCHEMBL1532389 0.88 KDR (0.52) KDRKITFLT3SIK1SIK2
SCHEMBL1817410 0.87 KDR (0.42) KDRGPR119NSD2
SCHEMBL12627041 0.87 KDR (0.51) KDRKITFLT3SIK1SIK2
SCHEMBL12627040 0.87 KDR (0.51) KDRKITFLT3SIK1SIK2
SCHEMBL12627044 0.83 KDR (0.47) KDRKITFLT3SIK1SIK2
SCHEMBL1532268 0.83 KDR (0.58) KDRKITFLT3SIK1SIK2
SCHEMBL12627061 0.82 KDR (0.46) KDRKITFLT3SIK1SIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 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-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK KDR 2005/4885GPR119 4021/4885IKBKE 333/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK KDR 2005/4885GPR119 4021/4885IKBKE 333/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 KDR 2212/4885GPR119 4271/4885IKBKE 364/4885

“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.