SCHEMBL2970028

SCHEMBL2970028

CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc(C#Cc3cnc(N)nc3)ccc2F)C1=O

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 17/20 0.77
LCK P06239 15/20 0.77
KDR P35968 13/20 0.77
JAK3 P52333 2/20 0.67
JAK2 O60674 1/20 0.67
NTRK1 P04629 1/20 0.67
INSR P06213 1/20 0.67
FES P07332 1/20 0.67
LYN P07948 1/20 0.67
FGR P09769 1/20 0.67
KIT P10721 1/20 0.67
JAK1 P23458 1/20 0.67
CSK P41240 1/20 0.67
EPHB4 P54760 1/20 0.67
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
WDR5 P61964 1/20 0.40

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
SCHEMBL13219999 0.88 LCK (0.59) TEKLCKKDRJAK3JAK2
SCHEMBL2974442 0.87 TEK (1.00) TEKLCKKDRJAK3JAK2
SCHEMBL2961466 0.86 TEK (0.78) TEKLCKKDRJAK3JAK2
SCHEMBL2976179 0.85 TEK (0.74) TEKLCKKDRJAK3JAK2
SCHEMBL14879287 0.85 TEK (1.00) TEKLCKKDRJAK3JAK2
SCHEMBL2975217 0.85 TEK (1.00) TEKLCKKDRJAK3JAK2
SCHEMBL2969590 0.84 TEK (0.84) TEKLCKKDRJAK3JAK2
SCHEMBL2961788 0.84 TEK (0.84) TEKLCKKDRJAK3JAK2
SCHEMBL2973594 0.83 TEK (1.00) TEKLCKKDRJAK3JAK2
SCHEMBL2968434 0.83 TEK (0.72) TEKLCKKDRJAK3JAK2

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
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP claimed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US claimed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP claimed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US claimed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO claimed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 TEK 608/4885LCK 108/4885KDR 666/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 TEK 608/4885LCK 108/4885KDR 666/4885

“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.