SCHEMBL11298529

SCHEMBL11298529

O=C(O)c1ccc(F)c(C#Cc2cnc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.52
KDR P35968 2/20 0.49
LCK P06239 1/20 0.49
TEK Q02763 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TRPM8 Q7Z2W7 3/20 0.44
ACACB O00763 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.41
HAO1 Q9UJM8 1/20 0.39
BCAT1 P54687 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
RAB9A P51151 3/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
CFTR P13569 1/20 0.38
GABRA1 P14867 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL15363972 0.86 KDR (0.53) MGAMKDRLCKTEKABL1
SCHEMBL29722360 0.85 ABL1 (0.64) MGAMKDRLCKTEKABL1
SCHEMBL11298523 0.85 ABL1 (0.64) MGAMKDRLCKTEKABL1
SCHEMBL11305247 0.82 PDGFRB (0.51) MGAMKDRLCKTEKABL1
SCHEMBL11319098 0.77 ABL1 (0.85) KDRLCKTEKABL1BCR
SCHEMBL11297514 0.76 ABL1 (0.64) MGAMKDRLCKTEKABL1
SCHEMBL11339717 0.75 TEK (0.49) KDRLCKTEKABL1BCR
SCHEMBL2255932 0.74 ALDH1A1 (0.44) MGAMKDRLCKTEKABL1
SCHEMBL22854596 0.74 PTGDR2 (0.48) ALDH1A1HAO1
SCHEMBL15363890 0.74 ABL1 (0.75) KDRLCKTEKABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665709-B1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RES CO LTD (IN) 2016-12-07 EP disclosed
US-9024021-B2 Diarylacetylene hydrazide containing tyrosine kinase inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-05-05 US disclosed
EP-2665709-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS Sun Pharma Advanced Research Company Limited (IN) 2013-11-27 EP disclosed
US-20130296557-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-11-07 US disclosed
WO-2012098416-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2012-07-26 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 (1 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-20130296557-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS ABL1, LCK, JAK2 MGAM 2634/4885KDR 277/4885LCK 2/4885

“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.