SCHEMBL2969110

SCHEMBL2969110

Cc1ccc(C(=O)Nc2cc(CCCN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(N)nc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 9/20 0.72
DDR2 Q16832 9/20 0.72
ABL1 P00519 8/20 0.72
KIT P10721 8/20 0.69
LCK P06239 1/20 0.64
KDR P35968 1/20 0.64
TEK Q02763 1/20 0.64
SRC P12931 1/20 0.62
BCR P11274 1/20 0.61
NTRK1 P04629 1/20 0.60
NTRK3 Q16288 1/20 0.60
NTRK2 Q16620 1/20 0.60
RET P07949 1/20 0.60

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
SCHEMBL2967936 0.93 DDR1 (0.67) DDR1DDR2ABL1KITLCK
SCHEMBL2969932 0.92 DDR1 (0.84) DDR1DDR2ABL1KITLCK
SCHEMBL14879283 0.92 DDR1 (0.71) DDR1DDR2ABL1KITLCK
SCHEMBL13220189 0.87 DDR2 (0.61) DDR1DDR2ABL1KITLCK
SCHEMBL2962061 0.86 DDR1 (0.82) DDR1DDR2ABL1KITSRC
SCHEMBL2966517 0.86 DDR1 (0.76) DDR1DDR2ABL1KITLCK
SCHEMBL2966570 0.85 ABL1 (0.72) DDR1DDR2ABL1KITLCK
SCHEMBL2964721 0.85 DDR1 (0.85) DDR1DDR2ABL1KITSRC
SCHEMBL2966026 0.85 DDR2 (0.72) DDR1DDR2ABL1KITSRC
SCHEMBL24626004 0.84 DDR1 (0.72) DDR1DDR2ABL1KITSRC

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 12 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
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US 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
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 DDR1 1488/4885DDR2 1204/4885ABL1 53/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 DDR1 1488/4885DDR2 1204/4885ABL1 53/4885

“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.